Crystallography Open Database

Formula: - C90 H110 Dy2 Fe4 N5 O26 -
Comments: Chen, Sihuai; Mereacre, Valeriu; Prodius, Denis; Kostakis, George E.; Powell, Annie K. Developing a "Highway Code" To Steer the Structural and Electronic Properties of Fe(III)/Dy(III) Coordination Clusters. Inorganic chemistry 54(7) (2015) 3218-3227
Space group: P 1 21/c 1
Cell volume: 9565
Cell parameters: 15.3144; 29.19; 22.497; 90; 108.001; 90;

COD ID: 4342648

Formula: - C130 H159 Dy4 Fe4 N5 O36 -
Comments: Chen, Sihuai; Mereacre, Valeriu; Prodius, Denis; Kostakis, George E.; Powell, Annie K. Developing a "Highway Code" To Steer the Structural and Electronic Properties of Fe(III)/Dy(III) Coordination Clusters. Inorganic chemistry 54(7) (2015) 3218-3227
Space group: P -1
Cell volume: 6755.4
Cell parameters: 14.0948; 16.852; 29.6754; 89.624; 87.037; 73.68;

COD ID: 4342649

Formula: - C134 H150 Dy4 Fe4 N16 O33 -
Comments: Chen, Sihuai; Mereacre, Valeriu; Prodius, Denis; Kostakis, George E.; Powell, Annie K. Developing a "Highway Code" To Steer the Structural and Electronic Properties of Fe(III)/Dy(III) Coordination Clusters. Inorganic chemistry 54(7) (2015) 3218-3227
Space group: R -3 :H
Cell volume: 18651
Cell parameters: 24.201; 24.201; 36.77; 90; 90; 120;

COD ID: 4342650

Formula: - C122 H138 Dy4 Fe4 N4 O33 -
Comments: Chen, Sihuai; Mereacre, Valeriu; Prodius, Denis; Kostakis, George E.; Powell, Annie K. Developing a "Highway Code" To Steer the Structural and Electronic Properties of Fe(III)/Dy(III) Coordination Clusters. Inorganic chemistry 54(7) (2015) 3218-3227
Space group: P 1 21/c 1
Cell volume: 12502.8
Cell parameters: 16.1438; 21.3375; 36.2966; 90; 90.331; 90;

COD ID: 7219837

Formula: - C34 H26 N8 O6 Zn -
Comments: Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties CrystEngComm 17(16) (2015) 3129
Space group: P 1 21/c 1
Cell volume: 3096
Cell parameters: 21.036; 7.657; 20.088; 90; 106.909; 90;

COD ID: 7219838

Formula: - C34 H26 Co N8 O6 -
Comments: Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties CrystEngComm 17(16) (2015) 3129
Space group: P 1 21/c 1
Cell volume: 3083
Cell parameters: 21.082; 7.603; 20.045; 90; 106.323; 90;

COD ID: 7219839

Formula: - C27 H25 Cd N10 O6 -
Comments: Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties CrystEngComm 17(16) (2015) 3129
Space group: P -1
Cell volume: 1421.4
Cell parameters: 8.534; 9.108; 19.64; 95.412; 99.68; 107.109;

COD ID: 7219835

Formula: - C56 H48 N16 O12 Zn2 -
Comments: Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties CrystEngComm 17(16) (2015) 3129
Space group: P -1
Cell volume: 2746.7
Cell parameters: 11.705; 13.456; 18.636; 95.216; 90.707; 109.834;

COD ID: 7219836

Formula: - C33.25 H33.25 N9.75 O6.25 Zn -
Comments: Song, Bai-Qiao; Qin, Chao; Zhang, Yu-Teng; Wu, Xue-Song; Liu, Hong-Sheng; Shao, Kui-Zhan; Su, Zhong-Min Coordination assemblies of seven metal-organic frameworks based on a bent connector: structural diversity and properties CrystEngComm 17(16) (2015) 3129
Space group: C 1 c 1
Cell volume: 3498
Cell parameters: 17.697; 24.072; 8.217; 90; 92.118; 90;

COD ID: 7032923

Formula: - C15 H32 Br0.5 Cl1.5 Fe N2 O P2 -
Comments: Lagaditis, Paraskevi O.; Sues, Peter E.; Lough, Alan J.; Morris, Robert H. Exploring the decomposition pathways of iron asymmetric transfer hydrogenation catalysts. Dalton transactions (Cambridge, England : 2003) 44(27) (2015) 12119-12127
Space group: P 1 21/c 1
Cell volume: 2102.73
Cell parameters: 13.1588; 7.68; 21.6873; 90; 106.382; 90;

COD ID: 4124826

Formula: - C111 H72 N6 O12 Zn3 -
Comments: Hu, Zhichao; Lustig, William P.; Zhang, Jingming; Zheng, Chong; Wang, Hao; Teat, Simon J.; Gong, Qihan; Rudd, Nathan D.; Li, Jing Effective Detection of Mycotoxins by a Highly Luminescent Metal-Organic Framework. Journal of the American Chemical Society 137(51) (2015) 16209-16215
Space group: C 1 2 1
Cell volume: 19178.7
Cell parameters: 44.091; 25.406; 17.1248; 90; 91.176; 90;

COD ID: 4124825

Formula: - C25 H20 Br N3 O2 -
Comments: Kong, Wangqing; Wang, Qian; Zhu, Jieping Palladium-Catalyzed Enantioselective Domino Heck/Intermolecular C-H Bond Functionalization: Development and Application to the Synthesis of (+)-Esermethole. Journal of the American Chemical Society 137(51) (2015) 16028-16031
Space group: P 1 21 1
Cell volume: 4315.6
Cell parameters: 10.862; 8.9413; 44.757; 90; 96.87; 90;

COD ID: 4124824

Formula: - C19 H21 N3 O -
Comments: Kong, Wangqing; Wang, Qian; Zhu, Jieping Palladium-Catalyzed Enantioselective Domino Heck/Intermolecular C-H Bond Functionalization: Development and Application to the Synthesis of (+)-Esermethole. Journal of the American Chemical Society 137(51) (2015) 16028-16031
Space group: P 21 21 2
Cell volume: 1638.2
Cell parameters: 10.259; 22.885; 6.9775; 90; 90; 90;

COD ID: 4124823

Formula: - C27 H26 Co F6 P -
Comments: Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation. Journal of the American Chemical Society 137(51) (2015) 16064-16073
Space group: P -1
Cell volume: 1222.02
Cell parameters: 9.0221; 10.5657; 13.7403; 74.82; 77.45; 79.209;

COD ID: 4124822

Formula: - C24.5 H20.75 Co F4 N0.25 P -
Comments: Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation. Journal of the American Chemical Society 137(51) (2015) 16064-16073
Space group: P 1 21/n 1
Cell volume: 2467.75
Cell parameters: 9.4327; 18.024; 14.5156; 90; 90.5681; 90;

COD ID: 4124821

Formula: - C25 H20 Co F6 P -
Comments: Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation. Journal of the American Chemical Society 137(51) (2015) 16064-16073
Space group: P -1
Cell volume: 1078.12
Cell parameters: 9.5767; 10.2062; 11.8202; 85.8132; 87.6375; 69.3572;

COD ID: 4124820

Formula: - C45 H44 Co2 F8 N0 O0 P2 -
Comments: Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation. Journal of the American Chemical Society 137(51) (2015) 16064-16073
Space group: P -1
Cell volume: 2031.3
Cell parameters: 8.9559; 14.4617; 17.157; 108.817; 92.449; 103.213;

COD ID: 4124819

Formula: - C24.5 H22 Co F8 P -
Comments: Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation. Journal of the American Chemical Society 137(51) (2015) 16064-16073
Space group: C 1 2/c 1
Cell volume: 4752.8
Cell parameters: 32.1741; 7.6991; 20.422; 90; 110.029; 90;

COD ID: 2241409

Formula: - C21 H19 Cl3 Hg N2 -
Comments: Bouchouit, Mehdi; Bouraiou, Abdelmalek; Bouacida, Sofiane; Merazig, Hocine; Belfaitah, Ali; Bahnous, Mebarek Crystal structure of catena-poly[1,3-dibenzylbenzimidazolium [[chloridomercurate(II)]-di-μ-chlorido]] Acta Crystallographica Section E 71(12) (2015) m255-m256
Space group: C 1 2/c 1
Cell volume: 2118.79
Cell parameters: 20.3669; 14.8837; 7.2154; 90; 104.372; 90;

COD ID: 1518769

Formula: - C25 H33 N3 O4 -
Comments: Meng, Ling-Hong; Du, Feng-Yu; Li, Xiao-Ming; Pedpradab, Patchara; Xu, Gang-Ming; Wang, Bin-Gui Rubrumazines A-C, Indolediketopiperazines of the Isoechinulin Class from Eurotium rubrum MA-150, a Fungus Obtained from Marine Mangrove-Derived Rhizospheric Soil. Journal of natural products 78(4) (2015) 909-913
Space group: P 21 21 21
Cell volume: 2367.2
Cell parameters: 6.0367; 19.1261; 20.5025; 90; 90; 90;

COD ID: 4124838
CIF file	Formula: - C21 H26 N2 O6 - Comments: Hashimoto, Takuya; Gálvez, Alberto Osuna; Maruoka, Keiji Boronic Acid-Catalyzed, Highly Enantioselective Aza-Michael Additions of Hydroxamic Acid to Quinone Imine Ketals. Journal of the American Chemical Society 137(51) (2015) 16016-16019 Space group: P 21 21 21 Cell volume: 2042.69 Cell parameters: 6.3279; 10.2173; 31.5941; 90; 90; 90;

COD ID: 4124837

Formula: - C23 H36 F3 O3 S Si2 Ti -
Comments: Godemann, Christian; Hollmann, Dirk; Kessler, Monty; Jiao, Haijun; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten A Model of a Closed Cycle of Water Splitting Using ansa-Titanocene(III/IV) Triflate Complexes. Journal of the American Chemical Society 137(51) (2015) 16187-16195
Space group: P n a 21
Cell volume: 2649.37
Cell parameters: 12.7082; 13.9806; 14.9119; 90; 90; 90;

COD ID: 4124836

Formula: - C23 H37 F3 O4 S Si2 Ti -
Comments: Godemann, Christian; Hollmann, Dirk; Kessler, Monty; Jiao, Haijun; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten A Model of a Closed Cycle of Water Splitting Using ansa-Titanocene(III/IV) Triflate Complexes. Journal of the American Chemical Society 137(51) (2015) 16187-16195
Space group: P n a 21
Cell volume: 2665.7
Cell parameters: 12.3619; 14.2625; 15.1193; 90; 90; 90;

COD ID: 4124835

Formula: - C23 H43 F3 O7 S Si2 Ti -
Comments: Godemann, Christian; Hollmann, Dirk; Kessler, Monty; Jiao, Haijun; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten A Model of a Closed Cycle of Water Splitting Using ansa-Titanocene(III/IV) Triflate Complexes. Journal of the American Chemical Society 137(51) (2015) 16187-16195
Space group: P -1
Cell volume: 1487.23
Cell parameters: 10.1464; 10.2342; 14.6704; 100.85; 93.18; 94.686;

COD ID: 4124834

Formula: - C27 H48 F3 O6 S Si2 Ti -
Comments: Godemann, Christian; Hollmann, Dirk; Kessler, Monty; Jiao, Haijun; Spannenberg, Anke; Brückner, Angelika; Beweries, Torsten A Model of a Closed Cycle of Water Splitting Using ansa-Titanocene(III/IV) Triflate Complexes. Journal of the American Chemical Society 137(51) (2015) 16187-16195
Space group: P 1 21/c 1
Cell volume: 3283.2
Cell parameters: 8.6717; 21.2892; 17.7844; 90; 90.304; 90;

COD ID: 4124832
CIF file	Formula: - C14 H25 Br N2 Pt - Comments: Bowes, Eric G.; Pal, Shrinwantu; Love, Jennifer A. Exclusive Csp(3)-Csp(3) vs Csp(2)-Csp(3) Reductive Elimination from Pt(IV) Governed by Ligand Constraints. Journal of the American Chemical Society 137(51) (2015) 16004-16007 Space group: P -1 Cell volume: 773.9 Cell parameters: 7.3874; 8.2772; 13.402; 94.032; 101.952; 103.382;

COD ID: 4124833
CIF file	Formula: - C11 H16 Br N Pt S - Comments: Bowes, Eric G.; Pal, Shrinwantu; Love, Jennifer A. Exclusive Csp(3)-Csp(3) vs Csp(2)-Csp(3) Reductive Elimination from Pt(IV) Governed by Ligand Constraints. Journal of the American Chemical Society 137(51) (2015) 16004-16007 Space group: F d d 2 Cell volume: 5208.5 Cell parameters: 17.915; 25.896; 11.227; 90; 90; 90;

COD ID: 4124831
CIF file	Formula: - C50 H46 Si2 - Comments: Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes. Journal of the American Chemical Society 137(51) (2015) 16203-16208 Space group: P c c n Cell volume: 4020.3 Cell parameters: 21.236; 24.857; 7.6161; 90; 90; 90;

COD ID: 4124830
CIF file	Formula: - C50 H34 O4 - Comments: Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes. Journal of the American Chemical Society 137(51) (2015) 16203-16208 Space group: P 1 21/n 1 Cell volume: 1733.92 Cell parameters: 12.0444; 5.7447; 25.5486; 90; 101.227; 90;

COD ID: 4124829
CIF file	Formula: - C34 H18 - Comments: Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes. Journal of the American Chemical Society 137(51) (2015) 16203-16208 Space group: C 1 2/c 1 Cell volume: 4001 Cell parameters: 45.98; 3.9168; 23.698; 90; 110.371; 90;

COD ID: 7154347
CIF file	Formula: - C29 H31 N3 O3 - Comments: Chen, Yunyun; Feng, Gaofeng Visible light mediated sp(3) C-H bond functionalization of N-aryl-1,2,3,4-tetrahydroisoquinolines via Ugi-type three-component reaction. Organic & biomolecular chemistry 13(14) (2015) 4260-4265 Space group: C 1 2/c 1 Cell volume: 5039.3 Cell parameters: 28.938; 11.193; 16.37; 90; 108.12; 90;

COD ID: 7154348
CIF file	Formula: - C30 H31 N3 O5 - Comments: Chen, Yunyun; Feng, Gaofeng Visible light mediated sp(3) C-H bond functionalization of N-aryl-1,2,3,4-tetrahydroisoquinolines via Ugi-type three-component reaction. Organic & biomolecular chemistry 13(14) (2015) 4260-4265 Space group: P 1 21/c 1 Cell volume: 2559.4 Cell parameters: 14.183; 11.422; 17.031; 90; 111.93; 90;

COD ID: 7154349

Formula: - C12 H9 F3 N2 O3 -
Comments: Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R. Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines. Organic & biomolecular chemistry 13(14) (2015) 4231-4239
Space group: P b c a
Cell volume: 4742.8
Cell parameters: 12.5161; 14.0082; 27.051; 90; 90; 90;

COD ID: 7154350

Formula: - C12 H8 Br F3 N2 O3 -
Comments: Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R. Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines. Organic & biomolecular chemistry 13(14) (2015) 4231-4239
Space group: P -1
Cell volume: 629.09
Cell parameters: 6.7929; 9.5186; 10.322; 102.643; 91.759; 104.107;

COD ID: 7154351

Formula: - C10 H8 I N3 O4 -
Comments: Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R. Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines. Organic & biomolecular chemistry 13(14) (2015) 4231-4239
Space group: P 1 21/c 1
Cell volume: 1173.29
Cell parameters: 14.7611; 4.6408; 17.1279; 90; 90.424; 90;

COD ID: 4512738
CIF file	Formula: - C7 H5 Br2 N S2 - Comments: Koskinen, Laura; Jääskeläinen, Sirpa; Hirva, Pipsa; Haukka, Matti Tunable Interaction Strength and Nature of the S···Br Halogen Bonds in [(Thione)Br2] Systems Crystal Growth & Design 15(3) (2015) 1160 Space group: P 21 21 21 Cell volume: 927.26 Cell parameters: 3.98635; 9.2709; 25.0901; 90; 90; 90;

COD ID: 4512739
CIF file	Formula: - C17 H16 Br4 Cl2 N2 S4 - Comments: Koskinen, Laura; Jääskeläinen, Sirpa; Hirva, Pipsa; Haukka, Matti Tunable Interaction Strength and Nature of the S···Br Halogen Bonds in [(Thione)Br2] Systems Crystal Growth & Design 15(3) (2015) 1160 Space group: P -1 Cell volume: 1225.09 Cell parameters: 8.5309; 11.7926; 13.1939; 69.389; 81.045; 83.723;

COD ID: 4512737
CIF file	Formula: - C7 H6 Br4 N2 S - Comments: Koskinen, Laura; Jääskeläinen, Sirpa; Hirva, Pipsa; Haukka, Matti Tunable Interaction Strength and Nature of the S···Br Halogen Bonds in [(Thione)Br2] Systems Crystal Growth & Design 15(3) (2015) 1160 Space group: P -1 Cell volume: 578.98 Cell parameters: 8.2516; 8.6933; 8.9277; 98.4; 113.166; 92.397;

COD ID: 4124828
CIF file	Formula: - C44 H34 Si2 - Comments: Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes. Journal of the American Chemical Society 137(51) (2015) 16203-16208 Space group: P c a 21 Cell volume: 3492.1 Cell parameters: 23.848; 19.628; 7.4604; 90; 90; 90;

COD ID: 2241398

Formula: - C19 H21 N3 O -
Comments: Adam, Farook; Samshuddin, Seranthimata; Ameram, Nadiah; Subramaya; Samartha, Laxminarayana Crystal structure of 5-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbaldehyde Acta Crystallographica Section E 71(12) (2015) o1031-o1032
Space group: C 1 2/c 1
Cell volume: 3181
Cell parameters: 21.9524; 6.2511; 24.1521; 90; 106.307; 90;

COD ID: 2241397
CIF file HKL data	Formula: - C20 H44 Mo8 N8 O30 - Comments: Amarante, Tatiana R.; Gonçalves, Isabel S.; Almeida Paz, Filipe A. Redetermination of the crystal structure of 3,5-dimethylpyrazolium β-octamolybdate tetrahydrate Acta Crystallographica Section E 71(12) (2015) m244-m245 Space group: P -1 Cell volume: 1135.67 Cell parameters: 10.1105; 10.7469; 11.9839; 64.103; 84.272; 75.826;

COD ID: 2241396

Formula: - C24 H30 Ge Si -
Comments: Zaitsev, Kirill V.; Zaitseva, Galina S.; Karlov, Sergey S.; Korlyukov, Alexander A. Crystal structure of (tert-butyldimethylsilyl)triphenylgermane, Ph~3~Ge-SiMe~2~(t-Bu) Acta Crystallographica Section E 71(12) (2015) o1015-o1016
Space group: C 1 2/c 1
Cell volume: 4423.3
Cell parameters: 13.5332; 14.9825; 22.7179; 90; 106.205; 90;

COD ID: 2241395

Formula: - C10 H16 Ag F6 N4 O4 P -
Comments: Rietzler, Barbara; Laus, Gerhard; Kahlenberg, Volker; Schottenberger, Herwig Crystal structure of bis(1,3-dimethoxyimidazolin-2-ylidene)silver(I) hexafluoridophosphate, N-heterocyclic carbene (NHC) complex Acta Crystallographica Section E 71(12) (2015) m251-m252
Space group: P -1
Cell volume: 937.84
Cell parameters: 7.5254; 11.7221; 11.8697; 109.481; 100.698; 100.052;

COD ID: 2241394

Formula: - C24 H20 N2 -
Comments: Adam, Farook; Charishma, Sharath Poojary; Prabhu, Basrur Ramya; Samshuddin, Seranthimata; Ameram, Nadiah Crystal structure of 3-(4-methylphenyl)-1-phenyl-5-[(E)-2-phenylethenyl]-1H-pyrazole Acta Crystallographica Section E 71(12) (2015) o1020
Space group: P 1 21/c 1
Cell volume: 1842.2
Cell parameters: 9.647; 14.1077; 14.0062; 90; 104.891; 90;

COD ID: 2241393

Formula: - C28 H36 Cu2 N4 O2 S4 -
Comments: Begum, M. S.; Howlader, M. B. H.; Sheikh, M. C.; Miyatake, R.; Zangrando, E. Crystal structure of bis[μ-S-hexyl 3-(2-oxidobenzylidene)dithiocarbazato-κ^4^O,N^3^,S:O]dicopper(II) Acta Crystallographica Section E 71(12) (2015) m249-m250
Space group: C 1 c 1
Cell volume: 3104.8
Cell parameters: 7.2792; 37.7252; 11.3443; 90; 94.701; 90;

COD ID: 2241392

Formula: - C8 H10 O3 -
Comments: Mills-Robles, Heather A.; Desikan, Vasumathi; Golen, James A.; Manke, David R. Crystal structure of 3,4-dimethoxyphenol Acta Crystallographica Section E 71(12) (2015) o1019
Space group: P b c a
Cell volume: 3221.3
Cell parameters: 8.7477; 13.8218; 26.6422; 90; 90; 90;

COD ID: 2241391

Formula: - C7 H11 Br N2 S -
Comments: Gaitor, Jamie C.; Zayas, Manuel Sanchez; Myrthil, Darrel J.; White, Frankie; Hendrich, Jeffrey M.; Sykora, Richard E.; O'Brien, Richard A.; Reilly, John T.; Mirjafari, Arsalan Crystal structure of a methimazole-based ionic liquid Acta Crystallographica Section E 71(12) (2015) o1008-o1009
Space group: P 1 21/c 1
Cell volume: 1004.62
Cell parameters: 10.8692; 7.4103; 12.8551; 90; 104.006; 90;

COD ID: 2241389

Formula: - C40 H54 B N5 O3 -
Comments: Tiritiris, Ioannis; Kantlehner, Willi Crystal structure of N''-(2-ethoxy-2-oxoethyl)-N,N,N',N'-tetramethyl-N''-[3-(1,3,3-trimethylureido)propyl]guanidinium tetraphenylborate Acta Crystallographica Section E 71(12) (2015) o1026-o1027
Space group: P 1 21/c 1
Cell volume: 3644.1
Cell parameters: 9.665; 33.8756; 11.1543; 90; 93.759; 90;

COD ID: 2241390

Formula: - C22 H32 N6 O8 Zn -
Comments: Roberts, T. J.; Mehari, T. F.; Assefa, Z.; Hamby, T.; Sykora, R. E. Crystal structure of bis(1,3-diaminopropane-κ^2^N,N')bis[2-(4-nitrophenyl)acetato-κO]zinc(II) Acta Crystallographica Section E 71(12) (2015) m240-m241
Space group: P 1 21/c 1
Cell volume: 1263.3
Cell parameters: 14.3933; 11.0261; 8.2453; 90; 105.119; 90;

COD ID: 2020316

Formula: - C20 H16 Cl2 N2 O3 -
Comments: Kwon, Eunjin; Kim, Jineun; Kang, Gihaeng; Kim, Tae Ho Crystal structure of pyrazoxyfen Acta Crystallographica Section E Crystallographic Communications 71(12) (2015) o1033
Space group: P -1
Cell volume: 1883.5
Cell parameters: 7.827; 15.534; 15.886; 88.82; 89.093; 77.266;

COD ID: 2241399

Formula: - C13 H10 Br N O S2 -
Comments: El Ajlaoui, Rahhal; Rakib, El Mostapha; Forsal, Issam; Saadi, Mohamed; El Ammari, Lahcen Crystal structure of (Z)-3-allyl-5-(3-bromobenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one Acta Crystallographica Section E 71(12) (2015) o1010-o1011
Space group: P -1
Cell volume: 685.6
Cell parameters: 5.4044; 11.2306; 11.7966; 80.1; 84.912; 76.732;

COD ID: 2241388

Formula: - C24 H24 Cr N3 O3 -
Comments: Hilbert, Jessica; Kabus, Sven; Näther, Christian; Bensch, Wolfgang Crystal structure of tris(N-methylsalicylaldiminato-κ^2^N,O)chromium(III) Acta Crystallographica Section E 71(12) (2015) m247-m248
Space group: P 1 21/c 1
Cell volume: 2142.37
Cell parameters: 7.7463; 25.4402; 11.1421; 90; 102.659; 90;

COD ID: 2241387

Formula: - C20 H28 Co N8 O2 S2 -
Comments: Suckert, Stefan; Wöhlert, Susanne; Jess, Inke; Näther, Christian Crystal structure of diaquabis(2,6-dimethylpyrazine-κN^4^)bis(thiocyanato-κN)cobalt(II) 2,5-dimethylpyrazine monosolvate Acta Crystallographica Section E 71(12) (2015) m242-m243
Space group: P -1
Cell volume: 650.68
Cell parameters: 8.3009; 9.0466; 10.42; 96.64; 105.82; 116.07;

COD ID: 2241385

Formula: - C10 H8 Br N O2 -
Comments: Kharbach, Yassine; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; El Ammari, Lahcen Crystal structure of 5-bromo-1-ethylindoline-2,3-dione Acta Crystallographica Section E 71(12) (2015) o1024-o1025
Space group: P -1
Cell volume: 984.58
Cell parameters: 9.5198; 10.0655; 11.2341; 70.9288; 75.4109; 85.2199;

COD ID: 2241386
CIF file HKL data	Formula: - C14 H12 O3 - Comments: Schäfer, Andreas; Iovkova-Berends, Ljuba; Gilke, Stefan; Kossmann, Paul; Preut, Hans; Hiersemann, Martin Crystal structure of 4-(4-methoxyphenoxy)benzaldehyde Acta Crystallographica Section E 71(12) (2015) o1021 Space group: P 1 21/c 1 Cell volume: 1114.93 Cell parameters: 12.1297; 7.6581; 12.3577; 90; 103.769; 90;

COD ID: 7118149
CIF file	Formula: - C29 H36 Br O Si - Comments: Aurora Lopez; Alejandro Parra; Carlos Jarava-Barrera; Mariola Tortosa Copper-catalyzed silylation of p-quinone methides: new entry to dibenzylic silanes Chem.Commun. 51 (2015) 17684 Space group: P -1 Cell volume: 2741.97 Cell parameters: 9.5769; 15.5585; 18.7701; 98.447; 95.244; 94.691;

COD ID: 2241407

Formula: - C63 H76 B2 N6 -
Comments: Tiritiris, Ioannis; Kantlehner, Willi Crystal structure of N-[3-(dimethylamino)propyl]-N',N',N'',N''-tetramethyl-N-(N,N,N',N'-tetramethylformamidiniumyl)guanidinium bis(tetraphenylborate) Acta Crystallographica Section E 71(12) (2015) o1045-o1046
Space group: C 1 c 1
Cell volume: 5246.4
Cell parameters: 17.1964; 17.6641; 17.4751; 90; 98.752; 90;

COD ID: 7055219

Formula: - C48 H52 N6 O4 Pd S2 -
Comments: Spodine, Evgenia; Hernández, Wilfredo; Vaisberg, Abraham; Tobar, Mabel; Alvarez, Melisa; Manzur, Jorge; Echevarría, Yuri In Vitro Antiproliferative Activity of Palladium(II) Thiosemicarbazone Complexes and the Corresponding Functionalized Chitosan Coated Magnetite Nanoparticles New J. Chem. (2015)
Space group: P -1
Cell volume: 1179.7
Cell parameters: 7.957; 9.112; 16.833; 80.061; 80.638; 82.591;

COD ID: 4512667

Formula: - C82 H92 N6 O26 S2 Tb2 -
Comments: Wang, Ya-Wen; Liu, Shun-Bang; Yang, Yan-Ling; Wang, Peng-Zhi; Zhang, Ai-Jiang; Peng, Yu A Terbium(III)-Complex-Based On-Off Fluorescent Chemosensor for Phosphate Anions in Aqueous Solution and Its Application in Molecular Logic Gates. ACS applied materials & interfaces 7(7) (2015) 4415-4422
Space group: P -1
Cell volume: 2780
Cell parameters: 13.066; 13.642; 16.025; 82.01; 85.328; 79.875;

COD ID: 4512668

Formula: - C82 H92 Gd2 N6 O26 S2 -
Comments: Wang, Ya-Wen; Liu, Shun-Bang; Yang, Yan-Ling; Wang, Peng-Zhi; Zhang, Ai-Jiang; Peng, Yu A Terbium(III)-Complex-Based On-Off Fluorescent Chemosensor for Phosphate Anions in Aqueous Solution and Its Application in Molecular Logic Gates. ACS applied materials & interfaces 7(7) (2015) 4415-4422
Space group: P -1
Cell volume: 2746.2
Cell parameters: 13.008; 13.602; 15.96; 81.863; 85.156; 79.801;

COD ID: 4512669

Formula: - C82 H92 Eu2 N6 O26 S2 -
Comments: Wang, Ya-Wen; Liu, Shun-Bang; Yang, Yan-Ling; Wang, Peng-Zhi; Zhang, Ai-Jiang; Peng, Yu A Terbium(III)-Complex-Based On-Off Fluorescent Chemosensor for Phosphate Anions in Aqueous Solution and Its Application in Molecular Logic Gates. ACS applied materials & interfaces 7(7) (2015) 4415-4422
Space group: P -1
Cell volume: 2770.4
Cell parameters: 13.051; 13.634; 16.013; 81.813; 85.137; 79.793;

COD ID: 4512670

Formula: - C39 H46 N O14 S3 -
Comments: Wang, Ya-Wen; Liu, Shun-Bang; Yang, Yan-Ling; Wang, Peng-Zhi; Zhang, Ai-Jiang; Peng, Yu A Terbium(III)-Complex-Based On-Off Fluorescent Chemosensor for Phosphate Anions in Aqueous Solution and Its Application in Molecular Logic Gates. ACS applied materials & interfaces 7(7) (2015) 4415-4422
Space group: P -1
Cell volume: 2120.8
Cell parameters: 10.8235; 11.5062; 17.3496; 89.269; 88.734; 79.065;

COD ID: 4512671

Formula: - C37 H29 N3 O2 Pd -
Comments: Ionescu, Andreea; Lento, Raffaella; Mastropietro, Teresa F.; Aiello, Iolinda; Termine, Roberto; Golemme, Attilio; Ghedini, Mauro; Bellec, Nathalie; Pini, Elena; Rimoldi, Isabella; Godbert, Nicolas Electropolymerized highly photoconductive thin films of cyclopalladated and cycloplatinated complexes. ACS applied materials & interfaces 7(7) (2015) 4019-4028
Space group: P 1 21/c 1
Cell volume: 3007.4
Cell parameters: 28.39; 6.4428; 16.4436; 90; 90.821; 90;

COD ID: 4512672

Formula: - C43 H33 N3 O2 Pd -
Comments: Ionescu, Andreea; Lento, Raffaella; Mastropietro, Teresa F.; Aiello, Iolinda; Termine, Roberto; Golemme, Attilio; Ghedini, Mauro; Bellec, Nathalie; Pini, Elena; Rimoldi, Isabella; Godbert, Nicolas Electropolymerized highly photoconductive thin films of cyclopalladated and cycloplatinated complexes. ACS applied materials & interfaces 7(7) (2015) 4019-4028
Space group: P -1
Cell volume: 3386
Cell parameters: 10.0139; 10.033; 35.752; 91.858; 95.719; 108.279;

COD ID: 4512673

Formula: - C45 H35 N3 O2 Pd -
Comments: Ionescu, Andreea; Lento, Raffaella; Mastropietro, Teresa F.; Aiello, Iolinda; Termine, Roberto; Golemme, Attilio; Ghedini, Mauro; Bellec, Nathalie; Pini, Elena; Rimoldi, Isabella; Godbert, Nicolas Electropolymerized highly photoconductive thin films of cyclopalladated and cycloplatinated complexes. ACS applied materials & interfaces 7(7) (2015) 4019-4028
Space group: P -1
Cell volume: 1884
Cell parameters: 6.5511; 9.456; 31.81; 93.023; 92.432; 106.44;

COD ID: 4512674

Formula: - C37 H29 N3 O2 Pt -
Comments: Ionescu, Andreea; Lento, Raffaella; Mastropietro, Teresa F.; Aiello, Iolinda; Termine, Roberto; Golemme, Attilio; Ghedini, Mauro; Bellec, Nathalie; Pini, Elena; Rimoldi, Isabella; Godbert, Nicolas Electropolymerized highly photoconductive thin films of cyclopalladated and cycloplatinated complexes. ACS applied materials & interfaces 7(7) (2015) 4019-4028
Space group: P 1 21/c 1
Cell volume: 3000
Cell parameters: 28.23; 6.498; 16.353; 90; 90.285; 90;

COD ID: 4512675

Formula: - C86.5 H67 Cl N6 O4 Pt2 -
Comments: Ionescu, Andreea; Lento, Raffaella; Mastropietro, Teresa F.; Aiello, Iolinda; Termine, Roberto; Golemme, Attilio; Ghedini, Mauro; Bellec, Nathalie; Pini, Elena; Rimoldi, Isabella; Godbert, Nicolas Electropolymerized highly photoconductive thin films of cyclopalladated and cycloplatinated complexes. ACS applied materials & interfaces 7(7) (2015) 4019-4028
Space group: P 1 21/n 1
Cell volume: 7155.3
Cell parameters: 21.956; 10.0166; 33.5; 90; 103.785; 90;

COD ID: 4512676
CIF file	Formula: - C17 H20 Br N3 O3 S - Comments: Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones. ACS combinatorial science 17(3) (2015) 202-207 Space group: P -1 Cell volume: 894.31 Cell parameters: 6.9859; 8.9912; 15.1002; 73.049; 81.912; 82.561;

COD ID: 4512677
CIF file	Formula: - C20 H18 N2 O4 S - Comments: Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones. ACS combinatorial science 17(3) (2015) 202-207 Space group: P -1 Cell volume: 1742.56 Cell parameters: 9.3579; 13.4701; 14.2923; 88.8035; 81.1389; 78.233;

COD ID: 4512678
CIF file	Formula: - C18 H21 N3 O4 - Comments: Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones. ACS combinatorial science 17(3) (2015) 202-207 Space group: P 1 21/c 1 Cell volume: 1646.93 Cell parameters: 10.3503; 21.2485; 7.497; 90; 92.7326; 90;

COD ID: 4512679
CIF file	Formula: - C14 H16 N2 O4 S - Comments: Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones. ACS combinatorial science 17(3) (2015) 202-207 Space group: P 1 21/n 1 Cell volume: 1409.62 Cell parameters: 10.8848; 9.6003; 14.2172; 90; 108.411; 90;

COD ID: 4512680
CIF file	Formula: - C21 H28 N4 O6 - Comments: Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones. ACS combinatorial science 17(3) (2015) 202-207 Space group: P -1 Cell volume: 2155.2 Cell parameters: 7.2339; 15.6981; 20.0319; 73.025; 83.3904; 83.999;

COD ID: 4512681
CIF file	Formula: - C14 H16 N2 O4 S - Comments: Kröger, Denis; Schlüter, Torben; Fischer, Malte; Geibel, Irina; Martens, Jürgen Three-Component Reaction toward Polyannulated Quinazolinones, Benzoxazinones, and Benzothiazinones. ACS combinatorial science 17(3) (2015) 202-207 Space group: F d d 2 Cell volume: 5640.3 Cell parameters: 18.2043; 38.6789; 8.0104; 90; 90; 90;

COD ID: 4512682

Formula: - C24 H8 O14.5 Zn2.5 -
Comments: Wan, Xiuyan; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Mingjian; Pan, Jie; Su, Kongzhao; Yang, Yan; Hong, Maochun Structural Diversity Modulated by the Ratios of a Ternary Solvent Mixture: Syntheses, Structures, and Luminescent Properties of Five Zinc(II) Metal‒Organic Frameworks Crystal Growth & Design 15(3) (2015) 1481
Space group: I 2/c 1 1
Cell volume: 7398.6
Cell parameters: 15.4272; 29.416; 16.356; 90; 94.595; 90;

COD ID: 4512683

Formula: - C48 H19 O24 Zn3.5 -
Comments: Wan, Xiuyan; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Mingjian; Pan, Jie; Su, Kongzhao; Yang, Yan; Hong, Maochun Structural Diversity Modulated by the Ratios of a Ternary Solvent Mixture: Syntheses, Structures, and Luminescent Properties of Five Zinc(II) Metal‒Organic Frameworks Crystal Growth & Design 15(3) (2015) 1481
Space group: P -1
Cell volume: 4201.9
Cell parameters: 16.2364; 16.9453; 18.8524; 114.997; 90.916; 113.54;

COD ID: 4512684

Formula: - C36 H12 O19 Zn3 -
Comments: Wan, Xiuyan; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Mingjian; Pan, Jie; Su, Kongzhao; Yang, Yan; Hong, Maochun Structural Diversity Modulated by the Ratios of a Ternary Solvent Mixture: Syntheses, Structures, and Luminescent Properties of Five Zinc(II) Metal‒Organic Frameworks Crystal Growth & Design 15(3) (2015) 1481
Space group: P -1
Cell volume: 3123.6
Cell parameters: 12.4752; 15.3763; 17.9551; 69.517; 75.565; 86.284;

COD ID: 4512685

Formula: - C48 H20 O26 Zn4 -
Comments: Wan, Xiuyan; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Mingjian; Pan, Jie; Su, Kongzhao; Yang, Yan; Hong, Maochun Structural Diversity Modulated by the Ratios of a Ternary Solvent Mixture: Syntheses, Structures, and Luminescent Properties of Five Zinc(II) Metal‒Organic Frameworks Crystal Growth & Design 15(3) (2015) 1481
Space group: P -1
Cell volume: 4212.2
Cell parameters: 9.5137; 16.1134; 27.5845; 91.802; 91.489; 94.441;

COD ID: 4512686

Formula: - C24 H8 O12 Zn2 -
Comments: Wan, Xiuyan; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Zhang, Mingjian; Pan, Jie; Su, Kongzhao; Yang, Yan; Hong, Maochun Structural Diversity Modulated by the Ratios of a Ternary Solvent Mixture: Syntheses, Structures, and Luminescent Properties of Five Zinc(II) Metal‒Organic Frameworks Crystal Growth & Design 15(3) (2015) 1481
Space group: P 1 21/c 1
Cell volume: 3361.03
Cell parameters: 15.0872; 9.0103; 24.9822; 90; 98.24; 90;

COD ID: 4342370

Formula: - C20 H20 Cl4 Fe K O2 S4 -
Comments: Benmansour, Samia; Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martin, Avelino; Perles, Josefina; Zamora, Félix Coordination Polymers Based on Diiron Tetrakis(dithiolato) Bridged by Alkali Metals, Electrical Bistability around Room Temperature, and Strong Antiferromagnetic Coupling. Inorganic chemistry 54(5) (2015) 2243
Space group: P -1
Cell volume: 1267.7
Cell parameters: 8.358; 12.207; 13.146; 72.886; 81.607; 86.142;

COD ID: 4342371

Formula: - C20 H20 Cl4 Fe O2 Rb S4 -
Comments: Benmansour, Samia; Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martin, Avelino; Perles, Josefina; Zamora, Félix Coordination Polymers Based on Diiron Tetrakis(dithiolato) Bridged by Alkali Metals, Electrical Bistability around Room Temperature, and Strong Antiferromagnetic Coupling. Inorganic chemistry 54(5) (2015) 2243
Space group: P -1
Cell volume: 1298.63
Cell parameters: 8.3909; 12.2239; 13.3861; 73.062; 81.438; 86.627;

COD ID: 4342372

Formula: - C20 H20 Cl4 Cs Fe O2 S4 -
Comments: Benmansour, Samia; Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martin, Avelino; Perles, Josefina; Zamora, Félix Coordination Polymers Based on Diiron Tetrakis(dithiolato) Bridged by Alkali Metals, Electrical Bistability around Room Temperature, and Strong Antiferromagnetic Coupling. Inorganic chemistry 54(5) (2015) 2243
Space group: P -1
Cell volume: 1321
Cell parameters: 8.34; 12.086; 13.806; 74.44; 80.27; 86.24;

COD ID: 4342373

Formula: - C28 H36 Cl4 Fe Li O4 S4 -
Comments: Benmansour, Samia; Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martin, Avelino; Perles, Josefina; Zamora, Félix Coordination Polymers Based on Diiron Tetrakis(dithiolato) Bridged by Alkali Metals, Electrical Bistability around Room Temperature, and Strong Antiferromagnetic Coupling. Inorganic chemistry 54(5) (2015) 2243
Space group: P -1
Cell volume: 1689.04
Cell parameters: 11.0978; 13.1869; 13.7014; 114.408; 94.859; 107.592;

COD ID: 4342374

Formula: - C16 H12 Cl4 Fe Na O2 S4 -
Comments: Benmansour, Samia; Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martin, Avelino; Perles, Josefina; Zamora, Félix Coordination Polymers Based on Diiron Tetrakis(dithiolato) Bridged by Alkali Metals, Electrical Bistability around Room Temperature, and Strong Antiferromagnetic Coupling. Inorganic chemistry 54(5) (2015) 2243
Space group: C 1 2/c 1
Cell volume: 5492
Cell parameters: 27.0829; 9.1347; 22.853; 90; 103.735; 90;

COD ID: 4342375

Formula: - C16 H12 Cl4 Fe Na O2 S4 -
Comments: Benmansour, Samia; Delgado, Esther; Gómez-García, Carlos J; Hernández, Diego; Hernández, Elisa; Martin, Avelino; Perles, Josefina; Zamora, Félix Coordination Polymers Based on Diiron Tetrakis(dithiolato) Bridged by Alkali Metals, Electrical Bistability around Room Temperature, and Strong Antiferromagnetic Coupling. Inorganic chemistry 54(5) (2015) 2243
Space group: P -1
Cell volume: 2133.6
Cell parameters: 9.2449; 12.206; 19.7913; 98.708; 101.342; 97.664;

COD ID: 4342376
CIF file	Formula: - C90 H146 B20 Cl2 O2 P2 Rh2 - Comments: Lugo, Christopher A.; Moore, Curtis E.; Rheingold, Arnold L.; Lavallo, Vincent Synthesis of a Hybrid m-Terphenyl/o-Carborane Building Block: Applications in Phosphine Ligand Design. Inorganic chemistry 54(5) (2015) 2094 Space group: P 1 21 1 Cell volume: 4851 Cell parameters: 10.435; 30.802; 15.579; 90; 104.357; 90;

COD ID: 4342377
CIF file	Formula: - C43 H28 B F20 P Si2 - Comments: Reißmann, Matti; Schäfer, André; Panisch, Robin; Schmidtmann, Marc; Bolte, Michael; Müller, Thomas Cyclic Silylated Onium Ions of Group 15 Elements. Inorganic chemistry 54(5) (2015) 2393 Space group: P 1 21/c 1 Cell volume: 4444.2 Cell parameters: 15.7053; 15.1729; 18.6678; 90; 92.505; 90;

COD ID: 4342378
CIF file	Formula: - C84 H84 B12 Cl16 P2 Si2 - Comments: Reißmann, Matti; Schäfer, André; Panisch, Robin; Schmidtmann, Marc; Bolte, Michael; Müller, Thomas Cyclic Silylated Onium Ions of Group 15 Elements. Inorganic chemistry 54(5) (2015) 2393 Space group: P 1 21/n 1 Cell volume: 4412.9 Cell parameters: 12.1228; 21.3999; 17.0156; 90; 91.43; 90;

COD ID: 4123420

Formula: - C6 H4 K N O5 S -
Comments: Zhang, Yuexia; Du, Yu; Huang, Zhijian; Xu, Jianfeng; Wu, Xingxing; Wang, Yuhuang; Wang, Ming; Yang, Song; Webster, Richard D.; Chi, Yonggui Robin N-Heterocyclic Carbene-Catalyzed Radical Reactions for Highly Enantioselective β-Hydroxylation of Enals. Journal of the American Chemical Society 137(7) (2015) 2416-2419
Space group: P 1 21/c 1
Cell volume: 843.2
Cell parameters: 15.097; 7.8518; 7.2255; 90; 100.1; 90;

COD ID: 4123421

Formula: - C42 H25 O13 Zn4 -
Comments: Williams, Derek E.; Dolgopolova, Ekaterina A.; Pellechia, Perry J.; Palukoshka, Andrei; Wilson, Thomas J.; Tan, Rui; Maier, Josef M.; Greytak, Andrew B.; Smith, Mark D.; Krause, Jeanette A.; Shustova, Natalia B. Mimic of the Green Fluorescent Protein β-Barrel: Photophysics and Dynamics of Confined Chromophores Defined by a Rigid Porous Scaffold. Journal of the American Chemical Society 137(6) (2015) 2223-2226
Space group: C 1 2/m 1
Cell volume: 10001.7
Cell parameters: 24.23; 24.193; 17.0847; 90; 92.957; 90;

COD ID: 4123422

Formula: - C42 H24.5 O13.25 Zn4 -
Comments: Williams, Derek E.; Dolgopolova, Ekaterina A.; Pellechia, Perry J.; Palukoshka, Andrei; Wilson, Thomas J.; Tan, Rui; Maier, Josef M.; Greytak, Andrew B.; Smith, Mark D.; Krause, Jeanette A.; Shustova, Natalia B. Mimic of the Green Fluorescent Protein β-Barrel: Photophysics and Dynamics of Confined Chromophores Defined by a Rigid Porous Scaffold. Journal of the American Chemical Society 137(6) (2015) 2223-2226
Space group: C 1 2/m 1
Cell volume: 9960
Cell parameters: 24.117; 24.219; 17.0669; 90; 92.381; 90;

COD ID: 4123423

Formula: - C33 H33 N O -
Comments: Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes. Journal of the American Chemical Society 137(7) (2015) 2448-2451
Space group: P 1 21/c 1
Cell volume: 2628.99
Cell parameters: 16.1203; 22.1653; 7.4539; 90; 99.215; 90;

COD ID: 4123424

Formula: - C30 H25 N O3 -
Comments: Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes. Journal of the American Chemical Society 137(7) (2015) 2448-2451
Space group: P -1
Cell volume: 1183.88
Cell parameters: 8.9934; 10.5133; 14.3208; 72.53; 74.383; 68.732;

COD ID: 4123425

Formula: - C30 H24 N2 O -
Comments: Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes. Journal of the American Chemical Society 137(7) (2015) 2448-2451
Space group: P -1
Cell volume: 1153.68
Cell parameters: 9.3127; 9.9133; 13.4051; 78.804; 81.019; 72.871;

COD ID: 4123426

Formula: - C29 H25 N O -
Comments: Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes. Journal of the American Chemical Society 137(7) (2015) 2448-2451
Space group: P -1
Cell volume: 1135.85
Cell parameters: 7.8807; 12.0321; 13.5012; 65.898; 76.679; 87.044;

COD ID: 4123427

Formula: - C30 H27 N O2 -
Comments: Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes. Journal of the American Chemical Society 137(7) (2015) 2448-2451
Space group: P -1
Cell volume: 1168.81
Cell parameters: 8.8899; 10.429; 13.6311; 93.185; 95.814; 110.902;

COD ID: 4123428

Formula: - C29 H24 F N O -
Comments: Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes. Journal of the American Chemical Society 137(7) (2015) 2448-2451
Space group: P -1
Cell volume: 1141.24
Cell parameters: 9.2154; 10.0505; 13.3037; 80.098; 81.359; 70.915;

COD ID: 4123429

Formula: - C31 H27 N O -
Comments: Fallon, Brendan J.; Derat, Etienne; Amatore, Muriel; Aubert, Corinne; Chemla, Fabrice; Ferreira, Franck; Perez-Luna, Alejandro; Petit, Marc C-h activation/functionalization catalyzed by simple, well-defined low-valent cobalt complexes. Journal of the American Chemical Society 137(7) (2015) 2448-2451
Space group: P -1
Cell volume: 1200.66
Cell parameters: 8.3905; 11.9981; 12.9348; 69.247; 80.694; 84.584;

COD ID: 4030648

Formula: - C12 H11 N3 O2 -
Comments: Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group. The Journal of organic chemistry 80(4) (2015) 2103-2119
Space group: P n a 21
Cell volume: 1099.32
Cell parameters: 15.7337; 7.0498; 9.911; 90; 90; 90;

COD ID: 4030649

Formula: - C17 H21 N3 O5 -
Comments: Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group. The Journal of organic chemistry 80(4) (2015) 2103-2119
Space group: P b c a
Cell volume: 3361.06
Cell parameters: 14.4847; 14.2985; 16.2284; 90; 90; 90;

COD ID: 4030650

Formula: - C12 H13 N3 O2 -
Comments: Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group. The Journal of organic chemistry 80(4) (2015) 2103-2119
Space group: P 1 21/c 1
Cell volume: 1186.61
Cell parameters: 13.2661; 8.4355; 11.2895; 90; 110.075; 90;

COD ID: 4030651

Formula: - C19 H17 N3 O3 -
Comments: Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group. The Journal of organic chemistry 80(4) (2015) 2103-2119
Space group: P 1 21/c 1
Cell volume: 1677.5
Cell parameters: 13.9795; 8.4328; 14.2374; 90; 91.868; 90;

COD ID: 4030652

Formula: - C22 H23 N3 O5 -
Comments: Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group. The Journal of organic chemistry 80(4) (2015) 2103-2119
Space group: P 1 21/n 1
Cell volume: 2044.76
Cell parameters: 8.5834; 14.8435; 16.2877; 90; 99.823; 90;

COD ID: 4030653

Formula: - C18 H14 N4 O2 -
Comments: Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group. The Journal of organic chemistry 80(4) (2015) 2103-2119
Space group: C 1 c 1
Cell volume: 1601.97
Cell parameters: 10.4755; 14.1633; 10.9706; 90; 100.198; 90;

COD ID: 4030654

Formula: - C12 H12 Br N3 O2 -
Comments: Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group. The Journal of organic chemistry 80(4) (2015) 2103-2119
Space group: P 21 21 21
Cell volume: 1250.17
Cell parameters: 7.0209; 7.6049; 23.4143; 90; 90; 90;

COD ID: 4030655

Formula: - C17 H14 N4 O4 -
Comments: Iaroshenko, Viktor O.; Gevorgyan, Ashot; Mkrtchyan, Satenik; Arakelyan, Knar; Grigoryan, Tatevik; Yedoyan, Julietta; Villinger, Alexander; Langer, Peter Transition-metal-catalyzed arylation of nitroimidazoles and further transformations of manipulable nitro group. The Journal of organic chemistry 80(4) (2015) 2103-2119
Space group: P 1 n 1
Cell volume: 769.28
Cell parameters: 7.5869; 14.3161; 7.9651; 90; 117.226; 90;

COD ID: 1518717
CIF file	Formula: - C18 H27 B Br N O5 S - Comments: Carrillo, Josué Ayuso; Ingleson, Michael J.; Turner, Michael L. Thienyl MIDA Boronate Esters as Highly Effective Monomers for Suzuki‒Miyaura Polymerization Reactions Macromolecules 48(4) (2015) 979 Space group: P -1 Cell volume: 2126.3 Cell parameters: 9.483; 13.115; 17.336; 90.88; 99.38; 91.32;

COD ID: 4085493
CIF file	Formula: - C43 H66 Cl2 Cr N2 O2 - Comments: Noor, Awal; Schwarz, Stefan; Kempe, Rhett Low-Valent Aminopyridinato Chromium Methyl Complexes via Reductive Alkylation and via Oxidative Addition of Iodomethane by a Cr‒Cr Quintuple Bond Organometallics 34(11) (2015) 2122 Space group: P -1 Cell volume: 2121.8 Cell parameters: 10.594; 14.89; 15.403; 63.156; 86.6; 78.347;

COD ID: 4085494
CIF file	Formula: - C66 H90 Cr2 N4 - Comments: Noor, Awal; Schwarz, Stefan; Kempe, Rhett Low-Valent Aminopyridinato Chromium Methyl Complexes via Reductive Alkylation and via Oxidative Addition of Iodomethane by a Cr‒Cr Quintuple Bond Organometallics 34(11) (2015) 2122 Space group: C 1 2/c 1 Cell volume: 6280.5 Cell parameters: 25.217; 9.984; 27.87; 90; 116.482; 90;

COD ID: 4085495
CIF file	Formula: - C33 H46 Cr N2 - Comments: Noor, Awal; Schwarz, Stefan; Kempe, Rhett Low-Valent Aminopyridinato Chromium Methyl Complexes via Reductive Alkylation and via Oxidative Addition of Iodomethane by a Cr‒Cr Quintuple Bond Organometallics 34(11) (2015) 2122 Space group: P 1 21/n 1 Cell volume: 3035.3 Cell parameters: 14.618; 13.33; 16.947; 90; 113.198; 90;

COD ID: 4085496
CIF file	Formula: - C33 H45 Cl2 Cr N2 O2 - Comments: Noor, Awal; Schwarz, Stefan; Kempe, Rhett Low-Valent Aminopyridinato Chromium Methyl Complexes via Reductive Alkylation and via Oxidative Addition of Iodomethane by a Cr‒Cr Quintuple Bond Organometallics 34(11) (2015) 2122 Space group: P 1 21/c 1 Cell volume: 3238 Cell parameters: 13.236; 11.443; 21.38; 90; 90.678; 90;

COD ID: 4085497
CIF file	Formula: - C26 H32 Cr N2 - Comments: Noor, Awal; Schwarz, Stefan; Kempe, Rhett Low-Valent Aminopyridinato Chromium Methyl Complexes via Reductive Alkylation and via Oxidative Addition of Iodomethane by a Cr‒Cr Quintuple Bond Organometallics 34(11) (2015) 2122 Space group: P b c a Cell volume: 4487.4 Cell parameters: 15.425; 13.013; 22.356; 90; 90; 90;

COD ID: 4085498
CIF file	Formula: - C65 H77 Cr2 I N4 - Comments: Noor, Awal; Schwarz, Stefan; Kempe, Rhett Low-Valent Aminopyridinato Chromium Methyl Complexes via Reductive Alkylation and via Oxidative Addition of Iodomethane by a Cr‒Cr Quintuple Bond Organometallics 34(11) (2015) 2122 Space group: P -1 Cell volume: 1431 Cell parameters: 10.4779; 11.8984; 13.6997; 65.129; 89.534; 69.427;

COD ID: 4085499

Formula: - C54 H89 Cl3 N4 W -
Comments: Tanahashi, Hiromasa; Tsurugi, Hayato; Mashima, Kazushi Synthesis of Alkyl and Alkylidene Complexes of Tungsten Bearing Imido and Redox-Active α-Diimine oro-Iminoquinone Ligands and Their Application as Catalysts for Ring-Opening Metathesis Polymerization of Norbornene Organometallics 34(4) (2015) 731
Space group: P 1 21/c 1
Cell volume: 5528
Cell parameters: 21.476; 11.704; 22.069; 90; 94.813; 90;

COD ID: 4085500

Formula: - C82 H90 Cl4 N4 O2 W2 -
Comments: Tanahashi, Hiromasa; Tsurugi, Hayato; Mashima, Kazushi Synthesis of Alkyl and Alkylidene Complexes of Tungsten Bearing Imido and Redox-Active α-Diimine oro-Iminoquinone Ligands and Their Application as Catalysts for Ring-Opening Metathesis Polymerization of Norbornene Organometallics 34(4) (2015) 731
Space group: P 1 21/c 1
Cell volume: 3607.6
Cell parameters: 15.204; 15.2708; 17.0338; 90; 114.191; 90;

COD ID: 4085501

Formula: - C48 H64 Cl2 N2 O2 W -
Comments: Tanahashi, Hiromasa; Tsurugi, Hayato; Mashima, Kazushi Synthesis of Alkyl and Alkylidene Complexes of Tungsten Bearing Imido and Redox-Active α-Diimine oro-Iminoquinone Ligands and Their Application as Catalysts for Ring-Opening Metathesis Polymerization of Norbornene Organometallics 34(4) (2015) 731
Space group: P -1
Cell volume: 2218
Cell parameters: 10.731; 12.859; 16.229; 87.35; 82.939; 87.39;

COD ID: 4085502

Formula: - C52 H67 N3 W -
Comments: Tanahashi, Hiromasa; Tsurugi, Hayato; Mashima, Kazushi Synthesis of Alkyl and Alkylidene Complexes of Tungsten Bearing Imido and Redox-Active α-Diimine oro-Iminoquinone Ligands and Their Application as Catalysts for Ring-Opening Metathesis Polymerization of Norbornene Organometallics 34(4) (2015) 731
Space group: P b c a
Cell volume: 9005
Cell parameters: 21.026; 13.208; 32.424; 90; 90; 90;

COD ID: 4085503

Formula: - C53 H70 N3 P W -
Comments: Tanahashi, Hiromasa; Tsurugi, Hayato; Mashima, Kazushi Synthesis of Alkyl and Alkylidene Complexes of Tungsten Bearing Imido and Redox-Active α-Diimine oro-Iminoquinone Ligands and Their Application as Catalysts for Ring-Opening Metathesis Polymerization of Norbornene Organometallics 34(4) (2015) 731
Space group: P 1 21/n 1
Cell volume: 5347
Cell parameters: 12.372; 12.36; 35.044; 90; 93.881; 90;

COD ID: 4085504

Formula: - C46 H59 Cl4 N3 W -
Comments: Tanahashi, Hiromasa; Tsurugi, Hayato; Mashima, Kazushi Synthesis of Alkyl and Alkylidene Complexes of Tungsten Bearing Imido and Redox-Active α-Diimine oro-Iminoquinone Ligands and Their Application as Catalysts for Ring-Opening Metathesis Polymerization of Norbornene Organometallics 34(4) (2015) 731
Space group: P 1 21/n 1
Cell volume: 4514
Cell parameters: 12.285; 18.687; 19.769; 90; 95.995; 90;

COD ID: 4085505

Formula: - C58 H68 N2 O W -
Comments: Tanahashi, Hiromasa; Tsurugi, Hayato; Mashima, Kazushi Synthesis of Alkyl and Alkylidene Complexes of Tungsten Bearing Imido and Redox-Active α-Diimine oro-Iminoquinone Ligands and Their Application as Catalysts for Ring-Opening Metathesis Polymerization of Norbornene Organometallics 34(4) (2015) 731
Space group: P 1 21/c 1
Cell volume: 4818.4
Cell parameters: 12.7709; 19.5707; 19.8524; 90; 103.811; 90;

COD ID: 1518718

Formula: - C18 H26 O4 Si -
Comments: Xu, Xinfang; Wang, Xiangbo; Zavalij, Peter Y.; Doyle, Michael P. Straightforward Access to the [3.2.2]Nonatriene Structural Framework via Intramolecular Cyclopropenation/Buchner Reaction/Cope Rearrangement Cascade. Organic letters 17(4) (2015) 790-793
Space group: P b c a
Cell volume: 3754.9
Cell parameters: 16.759; 7.4334; 30.141; 90; 90; 90;

COD ID: 1518719

Formula: - C18 H26 O4 Si -
Comments: Xu, Xinfang; Wang, Xiangbo; Zavalij, Peter Y.; Doyle, Michael P. Straightforward Access to the [3.2.2]Nonatriene Structural Framework via Intramolecular Cyclopropenation/Buchner Reaction/Cope Rearrangement Cascade. Organic letters 17(4) (2015) 790-793
Space group: P -1
Cell volume: 1842.1
Cell parameters: 6.1239; 16.8945; 17.8873; 91.468; 95.3024; 90.184;

COD ID: 2019858
CIF file HKL data	Formula: - C15 H22 O3 - Comments: Beghidja, Noureddine; Benayache, Samir; Benayache, Fadila; Knight, David W.; Kariuki, Benson M. Crystal structure of pseudoguainolide Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) o162 Space group: P 21 21 21 Cell volume: 1357.65 Cell parameters: 7.432; 11.9278; 15.3152; 90; 90; 90;

COD ID: 2019859

Formula: - C31 H34 Cu N3 P2 S2 -
Comments: Wattanakanjana, Yupa; Nimthong-Roldán, Arunpatcha; Ratthiwan, Janejira Crystal structure of [1,3-bis(diphenylphosphanyl)propane-κ2P,P′](N,N′-dimethylthiourea-κS)(thiocyanato-κN)copper(I) Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) m61
Space group: P 1 21 1
Cell volume: 3060.4
Cell parameters: 9.9727; 31.971; 10.2162; 90; 110.022; 90;

COD ID: 2019860

Formula: - C16 H20 Co N2 O12 -
Comments: Danish, Muhammad; Tahir, Muhammad Nawaz; Iftikhar, Sana; Raza, Muhammad Asam; Ashfaq, Muhammad Tetraaquabis[2-(2-nitrophenyl)acetato-κO]cobalt(II) Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) m59
Space group: P 1 21/n 1
Cell volume: 998.96
Cell parameters: 5.4431; 6.4313; 28.5697; 90; 92.762; 90;

COD ID: 2019861

Formula: - C30 H42 N4 Pd S4 -
Comments: Begum, M. Sabina; Howlader, M. Belayet Hossain; Sheikh, M. Chanmiya; Miyatake, Ryuta; Zangrando, Ennio Crystal structure of bis[S-hexyl 3-(4-methylbenzylidene)dithiocarbazato-κ2N3,S]palladium(II) Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) m63
Space group: C 1 2 1
Cell volume: 1638.37
Cell parameters: 18.3559; 9.6747; 10.3368; 90; 116.81; 90;

COD ID: 2019862

Formula: - C15 H11 Cl2 N O S -
Comments: Yennawar, Hemant P.; Tierney, John; Hullihen, Patrick D.; Silverberg, Lee J. Crystal structures of 2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one andtrans-2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one 1-oxide Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) 264
Space group: P -1
Cell volume: 704.2
Cell parameters: 8.019; 9.562; 9.984; 88.937; 76.254; 71.586;

COD ID: 2019863

Formula: - C15 H11 Cl2 N O2 S -
Comments: Yennawar, Hemant P.; Tierney, John; Hullihen, Patrick D.; Silverberg, Lee J. Crystal structures of 2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one andtrans-2,3-bis(4-chlorophenyl)-1,3-thiazolidin-4-one 1-oxide Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) 264
Space group: P b c a
Cell volume: 3117.4
Cell parameters: 7.1094; 20.94; 20.94; 90; 90; 90;

COD ID: 2019864

Formula: - C60 H52 Fe N12 -
Comments: Guan, Ye; Powell, Douglas R.; Richter-Addo, George B. Crystal structure of bis(1-methyl-1H-imidazole-κN3)(5,10,15,20-tetraphenylporphyrinato-κ4N)iron(II)‒1-methyl-1H-imidazole (1/2) Acta Crystallographica Section E Crystallographic Communications 71(3) (2015) m57
Space group: P -1
Cell volume: 1220.03
Cell parameters: 9.3108; 10.1943; 13.4745; 81.557; 79.143; 77.797;

COD ID: 7033952

Formula: - C23 H49 B N O Sc Si2 -
Comments: Wang, Xiufang; Leng, Xuebing; Chen, Yaofeng Mono(boratabenzene) rare-earth metal dialkyl complexes: synthesis, structure and catalytic behaviors for styrene polymerization. Dalton transactions (Cambridge, England : 2003) 44(12) (2015) 5771-5776
Space group: P 1 21/n 1
Cell volume: 2960.8
Cell parameters: 10.945; 13.877; 19.505; 90; 91.922; 90;

COD ID: 7033953

Formula: - C23 H49 B Lu N O Si2 -
Comments: Wang, Xiufang; Leng, Xuebing; Chen, Yaofeng Mono(boratabenzene) rare-earth metal dialkyl complexes: synthesis, structure and catalytic behaviors for styrene polymerization. Dalton transactions (Cambridge, England : 2003) 44(12) (2015) 5771-5776
Space group: P 1 21/n 1
Cell volume: 3046
Cell parameters: 10.9985; 14.0655; 19.6993; 90; 91.8; 90;

COD ID: 7033954

Formula: - C54 H83 N2 O2 Si Y -
Comments: Kissel, Alexander A.; Mahrova, Tatyana V.; Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Del Rosal, Iker; Maron, Laurent Metallacyclic yttrium alkyl and hydrido complexes: synthesis, structures and catalytic activity in intermolecular olefin hydrophosphination and hydroamination. Dalton transactions (Cambridge, England : 2003) 44(27) (2015) 12137-12148
Space group: P 21 21 21
Cell volume: 5164
Cell parameters: 9.9646; 19.4922; 26.587; 90; 90; 90;

COD ID: 7033955

Formula: - C52 H94 Li N2 O4 Si2 Y -
Comments: Kissel, Alexander A.; Mahrova, Tatyana V.; Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Del Rosal, Iker; Maron, Laurent Metallacyclic yttrium alkyl and hydrido complexes: synthesis, structures and catalytic activity in intermolecular olefin hydrophosphination and hydroamination. Dalton transactions (Cambridge, England : 2003) 44(27) (2015) 12137-12148
Space group: P -1
Cell volume: 5691.1
Cell parameters: 12.6489; 20.3519; 24.5922; 68.123; 81.393; 76.144;

COD ID: 7033956

Formula: - C71 H113 N4 O3 Y2 -
Comments: Kissel, Alexander A.; Mahrova, Tatyana V.; Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Del Rosal, Iker; Maron, Laurent Metallacyclic yttrium alkyl and hydrido complexes: synthesis, structures and catalytic activity in intermolecular olefin hydrophosphination and hydroamination. Dalton transactions (Cambridge, England : 2003) 44(27) (2015) 12137-12148
Space group: C 1 2 1
Cell volume: 3609.83
Cell parameters: 23.6249; 13.2778; 12.427; 90; 112.176; 90;

COD ID: 7033957

Formula: - C111 H189 Li2 N6 O16 Y3 -
Comments: Kissel, Alexander A.; Mahrova, Tatyana V.; Lyubov, Dmitry M.; Cherkasov, Anton V.; Fukin, Georgy K.; Trifonov, Alexander A.; Del Rosal, Iker; Maron, Laurent Metallacyclic yttrium alkyl and hydrido complexes: synthesis, structures and catalytic activity in intermolecular olefin hydrophosphination and hydroamination. Dalton transactions (Cambridge, England : 2003) 44(27) (2015) 12137-12148
Space group: R 3 c :H
Cell volume: 17810.2
Cell parameters: 16.5905; 16.5905; 74.717; 90; 90; 120;

COD ID: 7033958

Formula: - C31 H29 Nd2 O18 -
Comments: Zhai, Lu; Zhang, Wen-Wei; Ren, Xiao-Ming; Zuo, Jing-Lin Luminescent lanthanide MOFs based on conjugated 1,1'-ethynebenzene-3,3',5,5'-tetracarboxylate ligand: syntheses, structures and photoluminescent properties. Dalton transactions (Cambridge, England : 2003) 44(12) (2015) 5746-5754
Space group: P 1 21/n 1
Cell volume: 4562.4
Cell parameters: 14.5952; 16.7329; 19.5713; 90; 107.344; 90;

COD ID: 7033959

Formula: - C31 H29 O18 Sm2 -
Comments: Zhai, Lu; Zhang, Wen-Wei; Ren, Xiao-Ming; Zuo, Jing-Lin Luminescent lanthanide MOFs based on conjugated 1,1'-ethynebenzene-3,3',5,5'-tetracarboxylate ligand: syntheses, structures and photoluminescent properties. Dalton transactions (Cambridge, England : 2003) 44(12) (2015) 5746-5754
Space group: P 1 21/n 1
Cell volume: 4366.5
Cell parameters: 14.4388; 16.4128; 19.331; 90; 107.606; 90;

COD ID: 7033960

Formula: - C31 H29 Dy2 O18 -
Comments: Zhai, Lu; Zhang, Wen-Wei; Ren, Xiao-Ming; Zuo, Jing-Lin Luminescent lanthanide MOFs based on conjugated 1,1'-ethynebenzene-3,3',5,5'-tetracarboxylate ligand: syntheses, structures and photoluminescent properties. Dalton transactions (Cambridge, England : 2003) 44(12) (2015) 5746-5754
Space group: P 1 21/n 1
Cell volume: 4421.9
Cell parameters: 14.4821; 16.7137; 19.213; 90; 108.039; 90;

COD ID: 2241383

Formula: - C22 H19 Cl O4 S2 -
Comments: Kang, Gihaeng; Kim, Jineun; Lim, Hansu; Kim, Tae Ho Crystal structure of benzobicyclon Acta Crystallographica Section E 71(12) (2015) o1035
Space group: P 1 21/c 1
Cell volume: 1997.85
Cell parameters: 15.5111; 10.7218; 12.0169; 90; 91.449; 90;

COD ID: 2241384

Formula: - C13 H10 Cl N O S2 -
Comments: El Ajlaoui, Rahhal; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen Crystal structure of (Z)-3-allyl-5-(4-chlorobenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one Acta Crystallographica Section E 71(12) (2015) o1012
Space group: P -1
Cell volume: 679.76
Cell parameters: 7.6197; 7.9849; 13.0624; 77.6; 77.996; 61.954;

COD ID: 7223468

Formula: - C17 H17 Br2 N3 O Pd -
Comments: Yang, Liangru; Yuan, Jinwei; Mao, Pu; Guo, Qi Chelating Palladium Complexes Containing Pyridine/pyrimidine Hydroxyalkyl Di-functionalized N-Heterocyclic Carbenes: Synthesis, Structure, and Catalytic Activity towards C-H Activation RSC Adv. (2015)
Space group: P 1 21 1
Cell volume: 909.01
Cell parameters: 5.7083; 12.891; 12.364; 90; 92.415; 90;

COD ID: 7223469

Formula: - C16 H16 Cl2 N4 O Pd -
Comments: Yang, Liangru; Yuan, Jinwei; Mao, Pu; Guo, Qi Chelating Palladium Complexes Containing Pyridine/pyrimidine Hydroxyalkyl Di-functionalized N-Heterocyclic Carbenes: Synthesis, Structure, and Catalytic Activity towards C-H Activation RSC Adv. (2015)
Space group: P 21 21 21
Cell volume: 1759.28
Cell parameters: 10.6261; 11.4231; 14.4936; 90; 90; 90;

COD ID: 7223465
CIF file	Formula: - C31 H17 Br N2 O3 - Comments: Pramanik, Animesh; Kundu, Ashis; Mukherjee, Sayan Synthesis of a new class of pyrazole embedded spirocyclic scaffolds using magnetically separable Fe3O4@SiO2‒SO3H nanoparticles as recyclable solid acid support RSC Adv. (2015) Space group: P 1 21/n 1 Cell volume: 2415.1 Cell parameters: 7.643; 20.832; 15.36; 90; 99.066; 90;

COD ID: 7223466
CIF file	Formula: - C31 H19 Br2 N2 O4 - Comments: Pramanik, Animesh; Kundu, Ashis; Mukherjee, Sayan Synthesis of a new class of pyrazole embedded spirocyclic scaffolds using magnetically separable Fe3O4@SiO2‒SO3H nanoparticles as recyclable solid acid support RSC Adv. (2015) Space group: P 1 21/c 1 Cell volume: 2666.8 Cell parameters: 14.759; 11.832; 19.609; 90; 128.85; 90;

COD ID: 7223467
CIF file	Formula: - C31 H17 Br2 N2 O3 - Comments: Pramanik, Animesh; Kundu, Ashis; Mukherjee, Sayan Synthesis of a new class of pyrazole embedded spirocyclic scaffolds using magnetically separable Fe3O4@SiO2‒SO3H nanoparticles as recyclable solid acid support RSC Adv. (2015) Space group: C 1 2/c 1 Cell volume: 5107.4 Cell parameters: 32.432; 10.9492; 15.6699; 90; 113.385; 90;

COD ID: 2241406

Formula: - C19 H14 N2 O2 S -
Comments: Bakhouch, Mohamed; El Yazidi, Mohamed; Kerbal, Abdelali; Saadi, Mohamed; El Ammari, Lahcen Crystal structure of 2-amino-3-cyano-4-(4-methoxyphenyl)-4H-1-benzothieno[3,2-b]pyran Acta Crystallographica Section E 71(12) (2015) o1043-o1044
Space group: P -1
Cell volume: 811.76
Cell parameters: 6.0469; 10.8135; 13.326; 109.943; 93.226; 95.439;

COD ID: 4124818

Formula: - C20 H18 Co F6 N0 P -
Comments: Leclerc, Matthew C.; Bayne, Julia M.; Lee, Graham M.; Gorelsky, Serge I.; Vasiliu, Monica; Korobkov, Ilia; Harrison, Daniel J.; Dixon, David A.; Baker, R. Tom Perfluoroalkyl Cobalt(III) Fluoride and Bis(perfluoroalkyl) Complexes: Catalytic Fluorination and Selective Difluorocarbene Formation. Journal of the American Chemical Society 137(51) (2015) 16064-16073
Space group: P 43
Cell volume: 1882.56
Cell parameters: 10.7808; 10.7808; 16.1975; 90; 90; 90;

COD ID: 1540696

Formula: - C12 H21 N O5 S -
Comments: Hakamata, Wataru; Koyama, Ryosuke; Tanida, Mizuki; Haga, Tomomi; Hirano, Takako; Akao, Makoto; Kumagai, Hitomi; Nishio, Toshiyuki A Simple Synthesis of Alliin and allo-Alliin: X-ray Diffraction Analysis and Determination of Their Absolute Configurations. Journal of agricultural and food chemistry 63(50) (2015) 10778-10784
Space group: P 21 21 21
Cell volume: 1507.3
Cell parameters: 9.0359; 10.9281; 15.2645; 90; 90; 90;

COD ID: 2241410

Formula: - C30 H23 N3 O4 -
Comments: Mathusalini, Sadasivam; Viswanathan, Vijayan; Mohan, Palathurai Subramaniam; Lin, Chia-Her; Velmurugan, Devadasan Crystal structure of 4'-(2-methoxyquinolin-3-yl)-1'-methyldispiro[indan-2,2'-pyrrolidine-3',3''-indoline]-1,3,2''-trione Acta Crystallographica Section E 71(12) (2015) o1038-o1039
Space group: P 1 21/n 1
Cell volume: 2466.27
Cell parameters: 10.9058; 9.5178; 23.8651; 90; 95.378; 90;

COD ID: 7216036
CIF file	Formula: - C34 H37 Cu3 F2 O19 - Comments: Peikert, K.; Hoffmann, F.; Fröba, M. Fluorine magic: one new organofluorine linker leads to three new metal‒organic frameworks CrystEngComm 17(2) (2015) 353 Space group: F m -3 m Cell volume: 18219.7 Cell parameters: 26.3136; 26.3136; 26.3136; 90; 90; 90;

COD ID: 7216037
CIF file	Formula: - C17 H21 Cu2 F N2 O9 - Comments: Peikert, K.; Hoffmann, F.; Fröba, M. Fluorine magic: one new organofluorine linker leads to three new metal‒organic frameworks CrystEngComm 17(2) (2015) 353 Space group: P 1 21/n 1 Cell volume: 2005.31 Cell parameters: 10.8304; 11.9985; 15.496; 90; 95.227; 90;

COD ID: 7216038
CIF file	Formula: - C17 H21 Cu F N2 O8 - Comments: Peikert, K.; Hoffmann, F.; Fröba, M. Fluorine magic: one new organofluorine linker leads to three new metal‒organic frameworks CrystEngComm 17(2) (2015) 353 Space group: P 1 21/c 1 Cell volume: 2003.8 Cell parameters: 11.8906; 11.6262; 14.501; 90; 91.671; 90;

COD ID: 4124817
CIF file	Formula: - C26 H23 Cl2 N O3 S - Comments: Santhoshkumar, Rajagopal; Mannathan, Subramaniyan; Cheng, Chien-Hong Ligand-Controlled Divergent C-H Functionalization of Aldehydes with Enynes by Cobalt Catalysts. Journal of the American Chemical Society 137(51) (2015) 16116-16120 Space group: P 1 21/n 1 Cell volume: 2390.8 Cell parameters: 12.6725; 14.3011; 14.2357; 90; 112.077; 90;

COD ID: 4124816

Formula: - C17 H25 N O -
Comments: Hickey, David P.; Schiedler, David A.; Matanovic, Ivana; Doan, Phuong Vy; Atanassov, Plamen; Minteer, Shelley D.; Sigman, Matthew S. Predicting Electrocatalytic Properties: Modeling Structure-Activity Relationships of Nitroxyl Radicals. Journal of the American Chemical Society 137(51) (2015) 16179-16186
Space group: C 1 2/c 1
Cell volume: 2922.78
Cell parameters: 23.2201; 16.7229; 7.527; 90; 90.177; 90;

COD ID: 4512740
CIF file	Formula: - C13 H18 O2 - Comments: Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen Crystal Growth & Design 15(3) (2015) 1512 Space group: P 1 21/c 1 Cell volume: 1188.8 Cell parameters: 14.522; 7.817; 10.619; 90; 99.54; 90;

COD ID: 4512741
CIF file	Formula: - C13 H18 O2 - Comments: Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen Crystal Growth & Design 15(3) (2015) 1512 Space group: P 1 21/c 1 Cell volume: 1135 Cell parameters: 14.309; 7.686; 10.47; 90; 99.85; 90;

COD ID: 4512742
CIF file	Formula: - C13 H18 O2 - Comments: Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen Crystal Growth & Design 15(3) (2015) 1512 Space group: P 1 21/c 1 Cell volume: 1107 Cell parameters: 14.205; 7.6697; 10.318; 90; 100.09; 90;

COD ID: 4512743
CIF file	Formula: - C13 H18 O2 - Comments: Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen Crystal Growth & Design 15(3) (2015) 1512 Space group: P 1 21/c 1 Cell volume: 1102 Cell parameters: 14.196; 7.638; 10.32; 90; 100.13; 90;

COD ID: 4512744
CIF file	Formula: - C13 H18 O2 - Comments: Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen Crystal Growth & Design 15(3) (2015) 1512 Space group: P 1 21/c 1 Cell volume: 1049 Cell parameters: 13.977; 7.536; 10.12; 90; 100.3; 90;

COD ID: 4512745
CIF file	Formula: - C13 H18 O2 - Comments: Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen Crystal Growth & Design 15(3) (2015) 1512 Space group: P 1 21/c 1 Cell volume: 1041.3 Cell parameters: 13.9958; 7.514; 10.067; 90; 100.41; 90;

COD ID: 4512746
CIF file	Formula: - C13 H18 O2 - Comments: Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen Crystal Growth & Design 15(3) (2015) 1512 Space group: P 1 21/c 1 Cell volume: 1021.2 Cell parameters: 13.905; 7.4574; 10.007; 90; 100.21; 90;

COD ID: 4512747
CIF file	Formula: - C13 H18 O2 - Comments: Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen Crystal Growth & Design 15(3) (2015) 1512 Space group: P 1 21/c 1 Cell volume: 1008.1 Cell parameters: 13.865; 7.4064; 9.977; 90; 100.27; 90;

COD ID: 4512748
CIF file	Formula: - C13 H18 O2 - Comments: Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen Crystal Growth & Design 15(3) (2015) 1512 Space group: P 1 21/c 1 Cell volume: 977.5 Cell parameters: 13.779; 7.324; 9.844; 90; 100.28; 90;

COD ID: 4512749
CIF file	Formula: - C13 H18 O2 - Comments: Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen Crystal Growth & Design 15(3) (2015) 1512 Space group: P 1 21/c 1 Cell volume: 963.6 Cell parameters: 13.7397; 7.2685; 9.804; 90; 100.195; 90;

COD ID: 4512750
CIF file	Formula: - C13 H18 O2 - Comments: Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen Crystal Growth & Design 15(3) (2015) 1512 Space group: P 1 21/c 1 Cell volume: 1173 Cell parameters: 14.4847; 7.8321; 10.4907; 90; 99.743; 90;

COD ID: 4512751
CIF file	Formula: - C13 H18 O2 - Comments: Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen Crystal Growth & Design 15(3) (2015) 1512 Space group: P 1 21/c 1 Cell volume: 1181.83 Cell parameters: 14.5144; 7.8429; 10.5297; 90; 99.609; 90;

COD ID: 4512752
CIF file	Formula: - C13 H18 O2 - Comments: Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen Crystal Growth & Design 15(3) (2015) 1512 Space group: P 1 21/c 1 Cell volume: 1194.34 Cell parameters: 14.5609; 7.857; 10.5867; 90; 99.563; 90;

COD ID: 4512753
CIF file	Formula: - C13 H18 O2 - Comments: Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen Crystal Growth & Design 15(3) (2015) 1512 Space group: P 1 21/c 1 Cell volume: 1207.65 Cell parameters: 14.605; 7.8721; 10.6507; 90; 99.525; 90;

COD ID: 4512754
CIF file	Formula: - C13 H18 O2 - Comments: Ostrowska, Kinga; Kropidłowska, Magdalena; Katrusiak, Andrzej High-Pressure Crystallization and Structural Transformations in CompressedR,S-Ibuprofen Crystal Growth & Design 15(3) (2015) 1512 Space group: P 1 21/c 1 Cell volume: 1226.4 Cell parameters: 14.6737; 7.895; 10.7345; 90; 99.541; 90;

COD ID: 4124808
CIF file	Formula: - C H6.99 Gd3 O9.99 - Comments: Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society 137(51) (2015) 15988-15991 Space group: I 4 3 2 Cell volume: 2028.9 Cell parameters: 12.6596; 12.6596; 12.6596; 90; 90; 90;

COD ID: 4124809
CIF file	Formula: - C H6.99 Gd3 O9.99 - Comments: Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society 137(51) (2015) 15988-15991 Space group: I 4 3 2 Cell volume: 2028.94 Cell parameters: 12.6597; 12.6597; 12.6597; 90; 90; 90;

COD ID: 4124810
CIF file	Formula: - C H6.99 Dy3 O9.99 - Comments: Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society 137(51) (2015) 15988-15991 Space group: I 4 3 2 Cell volume: 1951.58 Cell parameters: 12.4967; 12.4967; 12.4967; 90; 90; 90;

COD ID: 4124811
CIF file	Formula: - C H6.99 Dy3 O9.99 - Comments: Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society 137(51) (2015) 15988-15991 Space group: I 4 3 2 Cell volume: 1950.31 Cell parameters: 12.494; 12.494; 12.494; 90; 90; 90;

COD ID: 4124812
CIF file	Formula: - C H6.99 Dy3 O9.99 - Comments: Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society 137(51) (2015) 15988-15991 Space group: I 4 3 2 Cell volume: 1951.58 Cell parameters: 12.4967; 12.4967; 12.4967; 90; 90; 90;

COD ID: 4124813
CIF file	Formula: - C H6.99 O9.99 Tb3 - Comments: Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society 137(51) (2015) 15988-15991 Space group: I 4 3 2 Cell volume: 1959.55 Cell parameters: 12.5137; 12.5137; 12.5137; 90; 90; 90;

COD ID: 4124814
CIF file	Formula: - C H6.99 O9.99 Tb3 - Comments: Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society 137(51) (2015) 15988-15991 Space group: I 4 3 2 Cell volume: 1952.56 Cell parameters: 12.4988; 12.4988; 12.4988; 90; 90; 90;

COD ID: 4124815
CIF file	Formula: - C H6.99 O9.99 Tb3 - Comments: Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society 137(51) (2015) 15988-15991 Space group: I 4 3 2 Cell volume: 1964.11 Cell parameters: 12.5234; 12.5234; 12.5234; 90; 90; 90;

COD ID: 4124806
CIF file	Formula: - C H6.99 Gd3 O9.99 - Comments: Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society 137(51) (2015) 15988-15991 Space group: I 4 3 2 Cell volume: 2028.56 Cell parameters: 12.6589; 12.6589; 12.6589; 90; 90; 90;

COD ID: 4124807
CIF file	Formula: - C H6.99 Gd3 O9.99 - Comments: Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society 137(51) (2015) 15988-15991 Space group: I 4 3 2 Cell volume: 2026.25 Cell parameters: 12.6541; 12.6541; 12.6541; 90; 90; 90;

COD ID: 4124805
CIF file	Formula: - C H6.99 Gd3 O9.99 - Comments: Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society 137(51) (2015) 15988-15991 Space group: I 4 3 2 Cell volume: 2033.42 Cell parameters: 12.669; 12.669; 12.669; 90; 90; 90;

COD ID: 4124804
CIF file	Formula: - C H6.99 Gd3 O9.99 - Comments: Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society 137(51) (2015) 15988-15991 Space group: I 4 3 2 Cell volume: 2029.38 Cell parameters: 12.6606; 12.6606; 12.6606; 90; 90; 90;

COD ID: 7219628
CIF file	Formula: - C15 H18 Br N O4 S - Comments: Song, Zhong-Cheng; Ma, Gao-Yuan; Zhu, Hai-Liang Synthesis, Characterization and Antibacterial Activities of N-tert-Butoxycarbonyl-Thiazolidine Carboxylic Acid RSC Adv. (2015) Space group: P 1 21 1 Cell volume: 860.6 Cell parameters: 10.485; 6.602; 12.803; 90; 103.81; 90;

COD ID: 7219629
CIF file	Formula: - C15 H19 N O4 S - Comments: Song, Zhong-Cheng; Ma, Gao-Yuan; Zhu, Hai-Liang Synthesis, Characterization and Antibacterial Activities of N-tert-Butoxycarbonyl-Thiazolidine Carboxylic Acid RSC Adv. (2015) Space group: P 1 21 1 Cell volume: 786.6 Cell parameters: 10.308; 6.379; 12.174; 90; 100.71; 90;

COD ID: 7219626
CIF file	Formula: - C16 H21 N O5 S - Comments: Song, Zhong-Cheng; Ma, Gao-Yuan; Zhu, Hai-Liang Synthesis, Characterization and Antibacterial Activities of N-tert-Butoxycarbonyl-Thiazolidine Carboxylic Acid RSC Adv. (2015) Space group: P 21 21 21 Cell volume: 1782.9 Cell parameters: 6.424; 10.255; 27.064; 90; 90; 90;

COD ID: 7219627
CIF file	Formula: - C15 H18 Cl N O4 S - Comments: Song, Zhong-Cheng; Ma, Gao-Yuan; Zhu, Hai-Liang Synthesis, Characterization and Antibacterial Activities of N-tert-Butoxycarbonyl-Thiazolidine Carboxylic Acid RSC Adv. (2015) Space group: P 1 21 1 Cell volume: 850.5 Cell parameters: 6.46; 10.641; 12.411; 90; 94.52; 90;

COD ID: 4512759

Formula: - C7 H6 Cl N O2 -
Comments: Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution Crystal Growth & Design 15(3) (2015) 1395
Space group: P 1 21/n 1
Cell volume: 747.9
Cell parameters: 7.2279; 7.615; 13.593; 90; 91.58; 90;

COD ID: 4512760

Formula: - C6 H3 Cl2 N O2 -
Comments: Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution Crystal Growth & Design 15(3) (2015) 1395
Space group: C 1 2/c 1
Cell volume: 1539.92
Cell parameters: 10.8457; 10.4334; 14.6939; 90; 112.159; 90;

COD ID: 4512761

Formula: - C11 H6 Cl4 N2 O5 U -
Comments: Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution Crystal Growth & Design 15(3) (2015) 1395
Space group: I b c a
Cell volume: 3501
Cell parameters: 8.2621; 19.378; 21.87; 90; 90; 90;

COD ID: 4512762

Formula: - C11 H6 Br4 N2 O5 U -
Comments: Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution Crystal Growth & Design 15(3) (2015) 1395
Space group: I b c a
Cell volume: 3593
Cell parameters: 8.3785; 19.437; 22.0629; 90; 90; 90;

COD ID: 4512757

Formula: - C12 H8 N2 O8 U -
Comments: Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution Crystal Growth & Design 15(3) (2015) 1395
Space group: P 1 21/c 1
Cell volume: 1366.88
Cell parameters: 10.1711; 14.2894; 10.236; 90; 113.25; 90;

COD ID: 4512758

Formula: - C8 H11 N O10 U -
Comments: Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution Crystal Growth & Design 15(3) (2015) 1395
Space group: P -1
Cell volume: 682.2
Cell parameters: 7.737; 8.7775; 11.8091; 103.284; 98.966; 114.334;

COD ID: 4124827
CIF file	Formula: - C56 H58 Si2 - Comments: Gu, Xiao; Xu, Xiaomin; Li, Huiyan; Liu, Zhifeng; Miao, Qian Synthesis, Molecular Packing, and Thin Film Transistors of Dibenzo[a,m]rubicenes. Journal of the American Chemical Society 137(51) (2015) 16203-16208 Space group: P -1 Cell volume: 2326.5 Cell parameters: 13.4961; 13.5842; 15.511; 109.1; 91.269; 117.72;

COD ID: 7219631

Formula: - C157 H204 Cl3 Co N8 O18 P3 Yb -
Comments: Zhang, Quanquan; Cheng, Guoe; Ke, Hanzhong; Zhu, Xunjin; Zhu, Nianyong; Wong, Wai-Yeung (Raymond); Wong, Wai-Kwok Rick Effects of Peripheral Substitutions on the Singlet Oxygen Quantum Yields of Monophthalocyaninato Ytterbium(III) Complexes RSC Adv. (2015)
Space group: P -1
Cell volume: 7751
Cell parameters: 19.6111; 19.6932; 24.446; 81.59; 70.14; 60.83;

COD ID: 7219630
CIF file	Formula: - C15 H19 N O10 - Comments: Kulkarni, Suvarn S.; Sanapala, Someswara Rao One-pot Synthesis of Bicyclic Sugar Oxazolidinone from D-Glucosamine RSC Adv. (2015) Space group: P 21 21 21 Cell volume: 1686.8 Cell parameters: 9.809; 10.419; 16.505; 90; 90; 90;

COD ID: 7219625
CIF file	Formula: - C80 H74 Cd N8 O12 - Comments: Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tsai, Chen-Chuan; Lu, Kuang-Lieh A huge diamondoid metal‒organic framework with a neo-mode of tenfold interpenetration CrystEngComm 17(15) (2015) 2935 Space group: P 42/n :2 Cell volume: 5316.47 Cell parameters: 12.7832; 12.7832; 32.5345; 90; 90; 90;

COD ID: 1518753

Formula: - C37 H31 Cu F12 N4 -
Comments: Tomson, Neil C.; Williams, Kamille D.; Dai, Xuliang; Sproules, Stephen; DeBeer, Serena; Warren, Timothy H.; Wieghardt, Karl Re-evaluating the Cu K pre-edge XAS transition in complexes with covalent metal‒ligand interactions Chem. Sci. 6(4) (2015) 2474
Space group: P -1
Cell volume: 1788.5
Cell parameters: 12.1667; 12.1867; 13.5954; 81.549; 77.873; 65.444;

COD ID: 1518754

Formula: - C16 H6 F12 N2 -
Comments: Tomson, Neil C.; Williams, Kamille D.; Dai, Xuliang; Sproules, Stephen; DeBeer, Serena; Warren, Timothy H.; Wieghardt, Karl Re-evaluating the Cu K pre-edge XAS transition in complexes with covalent metal‒ligand interactions Chem. Sci. 6(4) (2015) 2474
Space group: I 41/a :2
Cell volume: 6623.3
Cell parameters: 36.71; 36.71; 4.9148; 90; 90; 90;

COD ID: 4512755

Formula: - C36 H22 Cl12 N6 O20 U2 -
Comments: Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution Crystal Growth & Design 15(3) (2015) 1395
Space group: P -1
Cell volume: 1315.78
Cell parameters: 9.3767; 10.8827; 12.9208; 88.646; 86.652; 89.268;

COD ID: 4512756

Formula: - C36 H22 Br12 N6 O20 U2 -
Comments: Mei, Lei; Wang, Cong-zhi; Wang, Lin; Zhao, Yu-liang; Chai, Zhi-fang; Shi, Wei-qun Halogen Bonded Three-Dimensional Uranyl‒Organic Compounds with Unprecedented Halogen‒Halogen Interactions and Structure Diversity upon Variation of Halogen Substitution Crystal Growth & Design 15(3) (2015) 1395
Space group: P -1
Cell volume: 1380.35
Cell parameters: 9.5038; 11.1204; 13.0924; 89.259; 86.419; 88.384;

COD ID: 4085575

Formula: - C26 H36 N2 Sn -
Comments: Leites, Larissa A.; Bukalov, Sergey S.; Aysin, Rinat R.; Piskunov, Alexander V.; Chegerev, Maxim G.; Cherkasov, Vladimir K.; Zabula, Alexander V.; West, Robert Aromaticity of an Unsaturated N-Heterocyclic Stannylene (HCRN)2SnIIAs Studied by Optical Spectra and Quantum Chemistry. Comparison in the Series (HCRN)2EII, E = C, Si, Ge, Sn (R =t-Bu or Dip) Organometallics 34(11) (2015) 2278
Space group: C 1 2/c 1
Cell volume: 2539.9
Cell parameters: 19.996; 6.518; 20.004; 90; 103.047; 90;

COD ID: 2019883

Formula: - C24 H51 O P -
Comments: Doan-Nguyen, Vicky V. T.; Carroll, Patrick J.; Murray, Christopher B. Structure determination and modeling of monoclinic trioctylphosphine oxide Acta Crystallographica Section C 71(3) (2015)
Space group: P 1 21/c 1
Cell volume: 2609.55
Cell parameters: 15.0889; 5.2252; 33.5535; 90; 99.449; 90;

COD ID: 4124801
CIF file	Formula: - C H6.99 Gd3 O9.99 - Comments: Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society 137(51) (2015) 15988-15991 Space group: I 4 3 2 Cell volume: 2027.31 Cell parameters: 12.6563; 12.6563; 12.6563; 90; 90; 90;

COD ID: 4124802
CIF file	Formula: - C H6.99 O9.99 Tb3 - Comments: Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society 137(51) (2015) 15988-15991 Space group: I 4 3 2 Cell volume: 1995.62 Cell parameters: 12.59; 12.59; 12.59; 90; 90; 90;

COD ID: 4124803
CIF file	Formula: - C H6.99 Dy3 O9.99 - Comments: Dong, Jie; Cui, Ping; Shi, Peng-Fei; Cheng, Peng; Zhao, Bin Ultrastrong Alkali-Resisting Lanthanide-Zeolites Assembled by [Ln60] Nanocages. Journal of the American Chemical Society 137(51) (2015) 15988-15991 Space group: I 4 3 2 Cell volume: 1962 Cell parameters: 12.5189; 12.5189; 12.5189; 90; 90; 90;

COD ID: 7219624
CIF file	Formula: - C6 H8 N2 O4 - Comments: Maddileti, D.; Nangia, Ashwini Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid CrystEngComm 17(28) (2015) 5252 Space group: P 1 21 1 Cell volume: 766.24 Cell parameters: 6.2475; 7.1111; 17.3692; 90; 96.792; 90;

COD ID: 7219622
CIF file	Formula: - C6 H10 N2 O5 - Comments: Maddileti, D.; Nangia, Ashwini Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid CrystEngComm 17(28) (2015) 5252 Space group: P 21 21 21 Cell volume: 796.7 Cell parameters: 5.1179; 12.2079; 12.7508; 90; 90; 90;

COD ID: 7219623
CIF file	Formula: - C6 H10 N2 O5 - Comments: Maddileti, D.; Nangia, Ashwini Polymorphism in anti-hyperammonemic agent N-carbamoyl-l-glutamic acid CrystEngComm 17(28) (2015) 5252 Space group: P 1 21 1 Cell volume: 844.54 Cell parameters: 5.3615; 15.8123; 9.9631; 90; 90.899; 90;

COD ID: 7219621

Formula: - C12 H36 Bi Cl6 N3 -
Comments: Liu, Guangfeng; Liu, Jie; Zheng, Xiaoxin; Liu, Yang; Yuan, Dongsheng; Zhang, Xixia; Gao, Zeliang; Tao, Xutang Bulk crystal growth and characterization of semi-organic nonlinear optical crystal tri-diethylammonium hexachlorobismuthate (TDCB) CrystEngComm 17(12) (2015) 2569
Space group: R 3 c :H
Cell volume: 3574.3
Cell parameters: 14.699; 14.699; 19.102; 90; 90; 120;

COD ID: 4339977
CIF file	Formula: - Au0.987 Cd4.07 - Comments: Jana, Partha P.; Lidin, Sven AuCd4: A Hume-Rothery Phase with VEC of 1.8 and Icosahedral and Trigonal-Prismatic Clusters as Building Blocks. Inorganic chemistry 54(3) (2015) 713-721 Space group: P 63/m Cell volume: 5563.5 Cell parameters: 21.3259; 21.3259; 14.1254; 90; 90; 120;

COD ID: 4339978
CIF file	Formula: - Au0.975 Cd4.088 - Comments: Jana, Partha P.; Lidin, Sven AuCd4: A Hume-Rothery Phase with VEC of 1.8 and Icosahedral and Trigonal-Prismatic Clusters as Building Blocks. Inorganic chemistry 54(3) (2015) 713-721 Space group: P 63/m Cell volume: 5569.2 Cell parameters: 21.34; 21.34; 14.1212; 90; 90; 120;

COD ID: 4340057

Formula: - Al0.22 Gd Ge2 -
Comments: Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering. Inorganic chemistry 54(3) (2015) 722-732
Space group: C m c m
Cell volume: 271.07
Cell parameters: 4.1471; 16.46; 3.9711; 90; 90; 90;

COD ID: 4340058

Formula: - Al0.21 Ge2 Tb -
Comments: Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering. Inorganic chemistry 54(3) (2015) 722-732
Space group: C m c m
Cell volume: 269.19
Cell parameters: 4.1499; 16.334; 3.9712; 90; 90; 90;

COD ID: 4340059

Formula: - Al0.17 Dy Ge2 -
Comments: Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering. Inorganic chemistry 54(3) (2015) 722-732
Space group: C m c m
Cell volume: 260.39
Cell parameters: 4.0823; 16.218; 3.933; 90; 90; 90;

COD ID: 4340060

Formula: - Al0.16 Ge2 Ho -
Comments: Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering. Inorganic chemistry 54(3) (2015) 722-732
Space group: C m c m
Cell volume: 257.5
Cell parameters: 4.073; 16.097; 3.927; 90; 90; 90;

COD ID: 4340061

Formula: - Al0.15 Er Ge2 -
Comments: Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering. Inorganic chemistry 54(3) (2015) 722-732
Space group: C m c m
Cell volume: 255.27
Cell parameters: 4.0656; 16.018; 3.9199; 90; 90; 90;

COD ID: 4340062

Formula: - Al0.13 Ge2 Tm -
Comments: Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering. Inorganic chemistry 54(3) (2015) 722-732
Space group: C m c m
Cell volume: 249.73
Cell parameters: 4.0353; 15.875; 3.8983; 90; 90; 90;

COD ID: 4340063

Formula: - Al0.1 Ge2 Lu -
Comments: Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering. Inorganic chemistry 54(3) (2015) 722-732
Space group: C m c m
Cell volume: 244.17
Cell parameters: 4.0097; 15.708; 3.8766; 90; 90; 90;

COD ID: 4340064

Formula: - Al0.17 Ge2 Y -
Comments: Zhang, Jiliang; Wang, Yingmin; Bobev, Svilen Structural Modulations in the Rare-Earth Metal Digermanides REAl1-xGe2 (RE = Gd-Tm, Lu, Y; 0.8 < x < 0.9). Correlations between Long- and Short-Range Vacancy Ordering. Inorganic chemistry 54(3) (2015) 722-732
Space group: C m c m
Cell volume: 264.14
Cell parameters: 4.1059; 16.301; 3.9465; 90; 90; 90;

COD ID: 4340142
CIF file	Formula: - Li44 Sr19 - Comments: Smetana, Volodymyr; Kienle, Lorenz; Duppel, Viola; Simon, Arndt Synthesis, Crystal Structure, and TEM Analysis of Sr19Li44 and Sr3Li2: A Reinvestigation of the Sr-Li Phase Diagram. Inorganic chemistry 54(3) (2015) 733-739 Space group: I -4 2 d Cell volume: 8059 Cell parameters: 15.912; 15.912; 31.831; 90; 90; 90;

COD ID: 4340143
CIF file	Formula: - Li8 Sr12 - Comments: Smetana, Volodymyr; Kienle, Lorenz; Duppel, Viola; Simon, Arndt Synthesis, Crystal Structure, and TEM Analysis of Sr19Li44 and Sr3Li2: A Reinvestigation of the Sr-Li Phase Diagram. Inorganic chemistry 54(3) (2015) 733-739 Space group: P 42/m n m Cell volume: 844.2 Cell parameters: 9.8034; 9.8034; 8.7837; 90; 90; 90;

COD ID: 7031671

Formula: - C13 H14 B N9 O Pb S8 -
Comments: Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W. Hemi- and holo-directed lead(II) complexes in a soft ligand environment. Dalton transactions (Cambridge, England : 2003) 44(3) (2015) 924-937
Space group: P -1
Cell volume: 1274.3
Cell parameters: 10.1258; 11.5049; 12.799; 111.827; 108.21; 95.805;

COD ID: 7031672

Formula: - C16 H20 B2 N4 Pb S8 -
Comments: Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W. Hemi- and holo-directed lead(II) complexes in a soft ligand environment. Dalton transactions (Cambridge, England : 2003) 44(3) (2015) 924-937
Space group: P -1
Cell volume: 1264.4
Cell parameters: 9.93379; 12.2627; 12.4372; 65.316; 83.1389; 66.8959;

COD ID: 7031673

Formula: - C14 H12 N6 O6 Pb S2 -
Comments: Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W. Hemi- and holo-directed lead(II) complexes in a soft ligand environment. Dalton transactions (Cambridge, England : 2003) 44(3) (2015) 924-937
Space group: P c c n
Cell volume: 1871
Cell parameters: 12.354; 16.814; 9.0073; 90; 90; 90;

COD ID: 7031674

Formula: - C72 H80 N20 O16 Pb2 S8 -
Comments: Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W. Hemi- and holo-directed lead(II) complexes in a soft ligand environment. Dalton transactions (Cambridge, England : 2003) 44(3) (2015) 924-937
Space group: C 1 2/c 1
Cell volume: 8521.1
Cell parameters: 25.8252; 20.757; 15.896; 90; 90.06; 90;

COD ID: 7031675

Formula: - C2 H4 N4 O4 Pb S -
Comments: Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W. Hemi- and holo-directed lead(II) complexes in a soft ligand environment. Dalton transactions (Cambridge, England : 2003) 44(3) (2015) 924-937
Space group: P b c n
Cell volume: 1503.13
Cell parameters: 17.9942; 6.3605; 13.1333; 90; 90; 90;

COD ID: 7031676

Formula: - C12 H20 N14 O6 Pb S4 -
Comments: Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W. Hemi- and holo-directed lead(II) complexes in a soft ligand environment. Dalton transactions (Cambridge, England : 2003) 44(3) (2015) 924-937
Space group: I -4
Cell volume: 1308
Cell parameters: 10.543; 10.543; 11.767; 90; 90; 90;

COD ID: 7031677

Formula: - C9 H7 N8 O Pb2 S8 -
Comments: Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W. Hemi- and holo-directed lead(II) complexes in a soft ligand environment. Dalton transactions (Cambridge, England : 2003) 44(3) (2015) 924-937
Space group: P 1 21 1
Cell volume: 1059.43
Cell parameters: 4.0517; 24.3412; 10.7681; 90; 93.9769; 90;

COD ID: 7031678

Formula: - C6 H6 N4 Pb S4 -
Comments: Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W. Hemi- and holo-directed lead(II) complexes in a soft ligand environment. Dalton transactions (Cambridge, England : 2003) 44(3) (2015) 924-937
Space group: P 1 21/c 1
Cell volume: 1205.46
Cell parameters: 13.3192; 11.742; 7.726; 90; 93.931; 90;

COD ID: 7031679

Formula: - C4 H6 N8 Pb S2 -
Comments: Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W. Hemi- and holo-directed lead(II) complexes in a soft ligand environment. Dalton transactions (Cambridge, England : 2003) 44(3) (2015) 924-937
Space group: P 1 21/n 1
Cell volume: 1037.37
Cell parameters: 8.94447; 4.92209; 23.5863; 90; 92.5552; 90;

COD ID: 7031680

Formula: - C18 H12 N2 Pb S4 -
Comments: Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W. Hemi- and holo-directed lead(II) complexes in a soft ligand environment. Dalton transactions (Cambridge, England : 2003) 44(3) (2015) 924-937
Space group: P b c a
Cell volume: 3573.74
Cell parameters: 19.9345; 7.34785; 24.3982; 90; 90; 90;

COD ID: 7031809

Formula: - C30 H22 Cl2 N2 O4 Pt -
Comments: Fabijańska, Małgorzata; Studzian, Kazimierz; Szmigiero, Leszek; Rybarczyk-Pirek, Agnieszka J; Pfitzner, Arno; Cebula-Obrzut, Barbara; Smolewski, Piotr; Zyner, Elżbieta; Ochocki, Justyn trans-Platinum(II) complex of 3-aminoflavone - synthesis, X-ray crystal structure and biological activities in vitro. Dalton transactions (Cambridge, England : 2003) 44(3) (2015) 938-947
Space group: P -1
Cell volume: 686.88
Cell parameters: 6.9226; 9.2809; 11.0038; 85.511; 87.997; 77.091;

COD ID: 1517271

Formula: - C371 H328 B16 Co8 F64 N72 O26 -
Comments: Cullen, William; Turega, Simon; Hunter, Christopher A.; Ward, Michael D. pH-dependent binding of guests in the cavity of a polyhedral coordination cage: reversible uptake and release of drug molecules Chem. Sci. 6(1) (2015) 625
Space group: C 1 2/c 1
Cell volume: 42973
Cell parameters: 27.3936; 39.1227; 41.964; 90; 107.152; 90;

COD ID: 4340716
CIF file	Formula: - Bi4 Pb7 Se13 - Comments: Olvera, Alan; Shi, Guangsha; Djieutedjeu, Honore; Page, Alexander; Uher, Ctirad; Kioupakis, Emmanouil; Poudeu, Pierre F. P. Pb7Bi4Se13: A Lillianite Homologue with Promising Thermoelectric Properties. Inorganic chemistry 54(3) (2015) 746-755 Space group: C 1 2/m 1 Cell volume: 1364.74 Cell parameters: 13.9328; 4.2455; 23.296; 90; 97.954; 90;

COD ID: 4340717
CIF file	Formula: - Bi4 Pb7 Se13 - Comments: Olvera, Alan; Shi, Guangsha; Djieutedjeu, Honore; Page, Alexander; Uher, Ctirad; Kioupakis, Emmanouil; Poudeu, Pierre F. P. Pb7Bi4Se13: A Lillianite Homologue with Promising Thermoelectric Properties. Inorganic chemistry 54(3) (2015) 746-755 Space group: C 1 2/m 1 Cell volume: 1382.5 Cell parameters: 13.991; 4.2619; 23.432; 90; 98.31; 90;

COD ID: 4340863

Formula: - F4 H2 Na O2 V -
Comments: Donakowski, Martin D.; Gautier, Romain; Lu, Hongcheng; Tran, T. Thao; Cantwell, Jacqueline R.; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R. Syntheses of two vanadium oxide-fluoride materials that differ in phase matchability. Inorganic chemistry 54(3) (2015) 765-772
Space group: P n a 21
Cell volume: 453.14
Cell parameters: 9.9595; 9.4423; 4.8186; 90; 90; 90;

COD ID: 4340864

Formula: - F4.67 Na2 O3.33 V2 -
Comments: Donakowski, Martin D.; Gautier, Romain; Lu, Hongcheng; Tran, T. Thao; Cantwell, Jacqueline R.; Halasyamani, P. Shiv; Poeppelmeier, Kenneth R. Syntheses of two vanadium oxide-fluoride materials that differ in phase matchability. Inorganic chemistry 54(3) (2015) 765-772
Space group: P 1 21 1
Cell volume: 307.84
Cell parameters: 6.3742; 3.5963; 14.3641; 90; 110.787; 90;

COD ID: 1517459

Formula: - C46 H44 Cl2 F6 N O7 P3 Ru S2 -
Comments: Wesselbaum, Sebastian; Moha, Verena; Meuresch, Markus; Brosinski, Sandra; Thenert, Katharina M.; Kothe, Jens; Stein, Thorsten vom; Englert, Ulli; Hölscher, Markus; Klankermayer, Jürgen; Leitner, Walter Hydrogenation of carbon dioxide to methanol using a homogeneous ruthenium‒Triphos catalyst: from mechanistic investigations to multiphase catalysis Chem. Sci. 6(1) (2015) 693
Space group: P 1 21 1
Cell volume: 2439.3
Cell parameters: 12.731; 15.301; 13.247; 90; 109.038; 90;

COD ID: 7154021
CIF file	Formula: - C11 H12 F N O - Comments: Cogswell, Thomas J.; Donald, Craig S.; Long, De-Liang; Marquez, Rodolfo Short and efficient synthesis of fluorinated δ-lactams. Organic & biomolecular chemistry 13(3) (2015) 717-728 Space group: P -1 Cell volume: 483.85 Cell parameters: 6.0469; 9.1864; 9.4011; 110.41; 96.98; 92.353;

COD ID: 4341027

Formula: - C32 H88 N4 O2 S2 Si8 Y2 -
Comments: Corbey, Jordan F.; Fang, Ming; Ziller, Joseph W.; Evans, William J. Cocrystallization of (μ-S2)(2-) and (μ-S)(2-) and Formation of an [η(2)-S3N(SiMe3)2] Ligand from Chalcogen Reduction by (N2)(2-) in a Bimetallic Yttrium Amide Complex. Inorganic chemistry 54(3) (2015) 801-807
Space group: P -1
Cell volume: 1340.63
Cell parameters: 10.6928; 12.0462; 12.1372; 60.9538; 79.5414; 88.4501;

COD ID: 4341028

Formula: - C22 H62 N3 O S3 Si6 Y -
Comments: Corbey, Jordan F.; Fang, Ming; Ziller, Joseph W.; Evans, William J. Cocrystallization of (μ-S2)(2-) and (μ-S)(2-) and Formation of an [η(2)-S3N(SiMe3)2] Ligand from Chalcogen Reduction by (N2)(2-) in a Bimetallic Yttrium Amide Complex. Inorganic chemistry 54(3) (2015) 801-807
Space group: P -1
Cell volume: 2021.6
Cell parameters: 8.8099; 10.0494; 23.8094; 101.062; 90.9696; 101.795;

COD ID: 4341029

Formula: - C32 H88 N4 O2 Se2 Si8 Y2 -
Comments: Corbey, Jordan F.; Fang, Ming; Ziller, Joseph W.; Evans, William J. Cocrystallization of (μ-S2)(2-) and (μ-S)(2-) and Formation of an [η(2)-S3N(SiMe3)2] Ligand from Chalcogen Reduction by (N2)(2-) in a Bimetallic Yttrium Amide Complex. Inorganic chemistry 54(3) (2015) 801-807
Space group: P -1
Cell volume: 1358.5
Cell parameters: 10.8331; 11.9995; 12.0793; 61.5418; 80.0644; 87.4348;

COD ID: 4341030

Formula: - C32 H88 N4 O2 S Si8 Y2 -
Comments: Corbey, Jordan F.; Fang, Ming; Ziller, Joseph W.; Evans, William J. Cocrystallization of (μ-S2)(2-) and (μ-S)(2-) and Formation of an [η(2)-S3N(SiMe3)2] Ligand from Chalcogen Reduction by (N2)(2-) in a Bimetallic Yttrium Amide Complex. Inorganic chemistry 54(3) (2015) 801-807
Space group: P -1
Cell volume: 1332.9
Cell parameters: 10.429; 12.16; 12.166; 61.535; 80.236; 89.078;

COD ID: 4341031

Formula: - C32 H88 N4 O2 Se Si8 Y2 -
Comments: Corbey, Jordan F.; Fang, Ming; Ziller, Joseph W.; Evans, William J. Cocrystallization of (μ-S2)(2-) and (μ-S)(2-) and Formation of an [η(2)-S3N(SiMe3)2] Ligand from Chalcogen Reduction by (N2)(2-) in a Bimetallic Yttrium Amide Complex. Inorganic chemistry 54(3) (2015) 801-807
Space group: P -1
Cell volume: 1341.03
Cell parameters: 10.4237; 12.1502; 12.1856; 61.9739; 88.8205; 80.5568;

COD ID: 1517514
CIF file	Formula: - C12 H12 F6 P Tc - Comments: Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate Chem. Sci. 6(1) (2015) 165 Space group: P 1 21/c 1 Cell volume: 1328.73 Cell parameters: 13.8831; 9.8745; 9.719; 90; 94.232; 90;

COD ID: 1517515
CIF file	Formula: - C14 H16 F6 P Tc - Comments: Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate Chem. Sci. 6(1) (2015) 165 Space group: P 1 21/n 1 Cell volume: 754.2 Cell parameters: 7.7559; 11.003; 8.9353; 90; 98.474; 90;

COD ID: 1517516
CIF file	Formula: - C18 H24 F6 P Tc - Comments: Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate Chem. Sci. 6(1) (2015) 165 Space group: P 21 21 21 Cell volume: 1916 Cell parameters: 9.2697; 13.0695; 15.815; 90; 90; 90;

COD ID: 1517517
CIF file	Formula: - C20 H24 F6 P Tc - Comments: Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate Chem. Sci. 6(1) (2015) 165 Space group: P 1 21/n 1 Cell volume: 965.8 Cell parameters: 8.7563; 12.1899; 9.5187; 90; 108.089; 90;

COD ID: 1517518
CIF file	Formula: - C21 H49 Al Cl7 N7 O7 Tc - Comments: Benz, Michael; Braband, Henrik; Schmutz, Paul; Halter, Jonathan; Alberto, Roger From TcVIIto TcI; facile syntheses of bis-arene complexes [99(m)Tc(arene)2]+from pertechnetate Chem. Sci. 6(1) (2015) 165 Space group: P 1 21 1 Cell volume: 2001.92 Cell parameters: 8.8724; 23.5963; 9.6318; 90; 96.888; 90;

COD ID: 1517671

Formula: - C22 H19 F O2 -
Comments: Alza, Esther; Laraia, Luca; Ibbeson, Brett M.; Collins, Súil; Galloway, Warren R. J. D.; Stokes, Jamie E.; Venkitaraman, Ashok R.; Spring, David R. Synthesis of a novel polycyclic ring scaffold with antimitotic properties via a selective domino Heck‒Suzuki reaction Chem. Sci. 6(1) (2015) 390
Space group: P 1 21/c 1
Cell volume: 1694.9
Cell parameters: 15.5436; 8.7069; 12.5382; 90; 92.769; 90;

COD ID: 7218067

Formula: - C3 H7 N O6 Zn -
Comments: Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K. Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework CrystEngComm 17(2) (2015) 370
Space group: P 63
Cell volume: 1127.65
Cell parameters: 12.5946; 12.5946; 8.2087; 90; 90; 120;

COD ID: 7218068

Formula: - C3 H7 N O6 Zn -
Comments: Zhang, Zhiying; Li, Wei; Carpenter, Michael A.; Howard, Christopher J.; Cheetham, Anthony K. Elastic properties and acoustic dissipation associated with a disorder‒order ferroelectric transition in a metal‒organic framework CrystEngComm 17(2) (2015) 370
Space group: P 63 2 2
Cell volume: 377.98
Cell parameters: 7.309; 7.309; 8.1701; 90; 90; 120;

COD ID: 7218069
CIF file	Formula: - C56 H58 Br2 - Comments: Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials CrystEngComm 17(3) (2015) 526 Space group: P -1 Cell volume: 2314 Cell parameters: 8.6456; 12.31; 22.758; 98.677; 92.478; 104.114;

COD ID: 7218070
CIF file	Formula: - C56 H60 - Comments: Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials CrystEngComm 17(3) (2015) 526 Space group: P -1 Cell volume: 2178.6 Cell parameters: 11.1014; 11.6074; 17.9752; 101.916; 105.051; 92.108;

COD ID: 7218071
CIF file	Formula: - C40 H26 Br2 - Comments: Lv, Yun; Liu, Yang; Ye, Xin; Liu, Guangfeng; Tao, Xutang The effect of mechano-stimuli on the amorphous-to-crystalline transition of mechanochromic luminescent materials CrystEngComm 17(3) (2015) 526 Space group: C 1 2 1 Cell volume: 1468.2 Cell parameters: 25.721; 5.527; 11.027; 90; 110.517; 90;

COD ID: 1517679
CIF file	Formula: - C18 H18 B2 F8 N4 - Comments: Jo, Hyun Hwa; Edupuganti, Ramakrishna; You, Lei; Dalby, Kevin N.; Anslyn, Eric V. Mechanistic Studies on Covalent Assemblies of Metal-Mediated Hemi-Aminal Ethers. Chemical science (Royal Society of Chemistry : 2010) 6(1) (2015) 158-164 Space group: P 1 21/n 1 Cell volume: 2005.2 Cell parameters: 7.9704; 9.6387; 26.395; 90; 98.556; 90;

COD ID: 1517680
CIF file	Formula: - C39 H36 Ag3 F9 N12 O9.5 S3 - Comments: He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang A macrocycle-assisted nanoparticlization process for bulk Ag2S Chem. Sci. 6(1) (2015) 654 Space group: P 1 21/n 1 Cell volume: 4733.8 Cell parameters: 13.528; 20.05; 18.26; 90; 107.1; 90;

COD ID: 1517681
CIF file	Formula: - C40 H36 Ag5 F9 N12 O10 S4 - Comments: He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang A macrocycle-assisted nanoparticlization process for bulk Ag2S Chem. Sci. 6(1) (2015) 654 Space group: P 21 21 21 Cell volume: 5195.8 Cell parameters: 10.57; 21.277; 23.103; 90; 90; 90;

COD ID: 1517682
CIF file	Formula: - C75 H72 Ag5 F9 N24 O9 S4 - Comments: He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang A macrocycle-assisted nanoparticlization process for bulk Ag2S Chem. Sci. 6(1) (2015) 654 Space group: C 1 2/c 1 Cell volume: 8615 Cell parameters: 23.725; 19.387; 18.732; 90; 90.71; 90;

COD ID: 1517683
CIF file	Formula: - C40 H36 Ag6 F10.5 N12 O16 S4.5 - Comments: He, Xin; Wang, Yuechao; Gao, Cai-Yan; Jiang, Hong; Zhao, Liang A macrocycle-assisted nanoparticlization process for bulk Ag2S Chem. Sci. 6(1) (2015) 654 Space group: P b c n Cell volume: 11624 Cell parameters: 12.772; 35.464; 25.664; 90; 90; 90;

COD ID: 7032518

Formula: - C66 H88 Ce N2 O4 Se2 -
Comments: Behrle, Andrew C.; Levin, Jessica R.; Kim, Jee Eon; Drewett, Jonathan M.; Barnes, Charles L.; Schelter, Eric J.; Walensky, Justin R. Stabilization of M(IV) = Ti, Zr, Hf, Ce, and Th using a selenium bis(phenolate) ligand. Dalton transactions (Cambridge, England : 2003) 44(6) (2015) 2693-2702
Space group: C 1 2/c 1
Cell volume: 6214
Cell parameters: 22.832; 10.6765; 26.086; 90; 102.255; 90;

COD ID: 7032519

Formula: - C76 H120 Hf O9 Se2 -
Comments: Behrle, Andrew C.; Levin, Jessica R.; Kim, Jee Eon; Drewett, Jonathan M.; Barnes, Charles L.; Schelter, Eric J.; Walensky, Justin R. Stabilization of M(IV) = Ti, Zr, Hf, Ce, and Th using a selenium bis(phenolate) ligand. Dalton transactions (Cambridge, England : 2003) 44(6) (2015) 2693-2702
Space group: C 1 2/c 1
Cell volume: 7610.2
Cell parameters: 26.492; 10.2565; 30.459; 90; 113.142; 90;

COD ID: 7032520

Formula: - C78 H112 O6 Se2 Th -
Comments: Behrle, Andrew C.; Levin, Jessica R.; Kim, Jee Eon; Drewett, Jonathan M.; Barnes, Charles L.; Schelter, Eric J.; Walensky, Justin R. Stabilization of M(IV) = Ti, Zr, Hf, Ce, and Th using a selenium bis(phenolate) ligand. Dalton transactions (Cambridge, England : 2003) 44(6) (2015) 2693-2702
Space group: P 1 21 1
Cell volume: 3764.1
Cell parameters: 10.6511; 20.51; 17.812; 90; 104.68; 90;

COD ID: 7032521

Formula: - C63 H88 O4 Se2 Ti -
Comments: Behrle, Andrew C.; Levin, Jessica R.; Kim, Jee Eon; Drewett, Jonathan M.; Barnes, Charles L.; Schelter, Eric J.; Walensky, Justin R. Stabilization of M(IV) = Ti, Zr, Hf, Ce, and Th using a selenium bis(phenolate) ligand. Dalton transactions (Cambridge, England : 2003) 44(6) (2015) 2693-2702
Space group: P -1
Cell volume: 3077.5
Cell parameters: 13.523; 14.612; 15.959; 92.097; 94.557; 101.358;

COD ID: 7032522

Formula: - C76 H120 O9 Se2 Zr -
Comments: Behrle, Andrew C.; Levin, Jessica R.; Kim, Jee Eon; Drewett, Jonathan M.; Barnes, Charles L.; Schelter, Eric J.; Walensky, Justin R. Stabilization of M(IV) = Ti, Zr, Hf, Ce, and Th using a selenium bis(phenolate) ligand. Dalton transactions (Cambridge, England : 2003) 44(6) (2015) 2693-2702
Space group: C 1 2/c 1
Cell volume: 7597
Cell parameters: 26.458; 10.2668; 30.39; 90; 113.026; 90;

COD ID: 7054425
CIF file	Formula: - C30 H38 N3 Ni S8 - Comments: Le Gal, Yann; Vacher, Antoine; Dorcet, Vincent; Fourmigué, Marc; Crassous, Jeanne; Lorcy, Dominique The near infra red (NIR) chiroptical properties of nickel dithiolene complexes New J. Chem. 39(1) (2015) 122 Space group: C 1 2 1 Cell volume: 3591.1 Cell parameters: 16.624; 7.8685; 28.101; 90; 102.325; 90;

COD ID: 7054426
CIF file	Formula: - C17 H17 N3 S4 - Comments: Le Gal, Yann; Vacher, Antoine; Dorcet, Vincent; Fourmigué, Marc; Crassous, Jeanne; Lorcy, Dominique The near infra red (NIR) chiroptical properties of nickel dithiolene complexes New J. Chem. 39(1) (2015) 122 Space group: P 21 21 21 Cell volume: 3729.95 Cell parameters: 8.5565; 11.6085; 37.5518; 90; 90; 90;

COD ID: 7032560

Formula: - C47 H40 Cd Cl2 N6 O9 -
Comments: Mikata, Yuji; Kizu, Asako; Konno, Hideo TQPHEN (N,N,N',N'-tetrakis(2-quinolylmethyl)-1,2-phenylenediamine) derivatives as highly selective fluorescent probes for Cd2+. Dalton transactions (Cambridge, England : 2003) 44(1) (2015) 104-109
Space group: P -1
Cell volume: 2134.7
Cell parameters: 11.703; 12.445; 16.362; 102.022; 93.925; 111.88;

COD ID: 7032561

Formula: - C47 H40 Cl2 N6 O9 Zn -
Comments: Mikata, Yuji; Kizu, Asako; Konno, Hideo TQPHEN (N,N,N',N'-tetrakis(2-quinolylmethyl)-1,2-phenylenediamine) derivatives as highly selective fluorescent probes for Cd2+. Dalton transactions (Cambridge, England : 2003) 44(1) (2015) 104-109
Space group: P -1
Cell volume: 2091.5
Cell parameters: 11.6363; 12.2449; 16.549; 101.217; 94.8706; 113.201;

COD ID: 1517789
CIF file	Formula: - C51 H54 O6 - Comments: Chen, Huanqing; Fan, Jiazeng; Hu, Xiaoshi; Ma, Junwei; Wang, Shilu; Li, Jian; Yu, Yihua; Jia, Xueshun; Li, Chunju Biphen[n]arenes Chem. Sci. 6(1) (2015) 197 Space group: P -1 Cell volume: 4244.3 Cell parameters: 13.7149; 15.9855; 20.8687; 103.455; 105.879; 93.251;

COD ID: 1517790
CIF file	Formula: - C68 H72 O8 - Comments: Chen, Huanqing; Fan, Jiazeng; Hu, Xiaoshi; Ma, Junwei; Wang, Shilu; Li, Jian; Yu, Yihua; Jia, Xueshun; Li, Chunju Biphen[n]arenes Chem. Sci. 6(1) (2015) 197 Space group: P 1 21/c 1 Cell volume: 2731.2 Cell parameters: 11.5532; 30.664; 7.71; 90; 90.771; 90;

COD ID: 7032612

Formula: - C30 H29 Eu N4 O11 -
Comments: Wen, Rong-Mei; Han, Song-De; Ren, Guo-Jian; Chang, Ze; Li, Yun-Wu; Bu, Xian-He A flexible zwitterion ligand based lanthanide metal-organic framework for luminescence sensing of metal ions and small molecules. Dalton transactions (Cambridge, England : 2003) 44(24) (2015) 10914-10917
Space group: P -1
Cell volume: 2140.2
Cell parameters: 9.5782; 12.778; 18.945; 107.49; 99.21; 97.89;

COD ID: 7054434
CIF file	Formula: - C30 H33 N3 - Comments: Vishnoi, Pratap; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy Charge transfer aided selective sensing and capture of picric acid by triphenylbenzenes New J. Chem. 39(2) (2015) 886 Space group: P 1 21/c 1 Cell volume: 2444 Cell parameters: 13.508; 24.193; 7.507; 90; 94.864; 90;

COD ID: 7054435
CIF file	Formula: - C48 H42 N12 O21 - Comments: Vishnoi, Pratap; Sen, Saumik; Patwari, G. Naresh; Murugavel, Ramaswamy Charge transfer aided selective sensing and capture of picric acid by triphenylbenzenes New J. Chem. 39(2) (2015) 886 Space group: P -1 Cell volume: 2447 Cell parameters: 10.766; 13.96; 17.294; 102.357; 98.189; 100.935;

COD ID: 4341104

Formula: - C104 H118 Dy4 N10 O46 -
Comments: Yadav, Munendra; Mereacre, Valeriu; Lebedkin, Sergei; Kappes, Manfred M.; Powell, Annie K.; Roesky, Peter W. Mononuclear and tetranuclear compounds of yttrium and dysprosium ligated by a salicylic schiff-base derivative: synthesis, photoluminescence, and magnetism. Inorganic chemistry 54(3) (2015) 773-781
Space group: P 1 21/n 1
Cell volume: 5635.3
Cell parameters: 14.6078; 15.241; 25.4038; 90; 94.884; 90;

COD ID: 4341105

Formula: - C42 H50 N5 O18 Y -
Comments: Yadav, Munendra; Mereacre, Valeriu; Lebedkin, Sergei; Kappes, Manfred M.; Powell, Annie K.; Roesky, Peter W. Mononuclear and tetranuclear compounds of yttrium and dysprosium ligated by a salicylic schiff-base derivative: synthesis, photoluminescence, and magnetism. Inorganic chemistry 54(3) (2015) 773-781
Space group: C 1 2/c 1
Cell volume: 4189
Cell parameters: 23.955; 14.6; 16.93; 90; 134.97; 90;

COD ID: 4341106

Formula: - C45 H62 Dy N5 O21 -
Comments: Yadav, Munendra; Mereacre, Valeriu; Lebedkin, Sergei; Kappes, Manfred M.; Powell, Annie K.; Roesky, Peter W. Mononuclear and tetranuclear compounds of yttrium and dysprosium ligated by a salicylic schiff-base derivative: synthesis, photoluminescence, and magnetism. Inorganic chemistry 54(3) (2015) 773-781
Space group: P 1 21/c 1
Cell volume: 5192
Cell parameters: 14.035; 25.654; 17.38; 90; 123.94; 90;

COD ID: 4341107

Formula: - C64 H82 N6 O34 Y4 -
Comments: Yadav, Munendra; Mereacre, Valeriu; Lebedkin, Sergei; Kappes, Manfred M.; Powell, Annie K.; Roesky, Peter W. Mononuclear and tetranuclear compounds of yttrium and dysprosium ligated by a salicylic schiff-base derivative: synthesis, photoluminescence, and magnetism. Inorganic chemistry 54(3) (2015) 773-781
Space group: P 1 21/c 1
Cell volume: 3817.5
Cell parameters: 12.2239; 16.5807; 18.8528; 90; 92.471; 90;

COD ID: 4341108

Formula: - C65 H92 Dy4 N6 O38 -
Comments: Yadav, Munendra; Mereacre, Valeriu; Lebedkin, Sergei; Kappes, Manfred M.; Powell, Annie K.; Roesky, Peter W. Mononuclear and tetranuclear compounds of yttrium and dysprosium ligated by a salicylic schiff-base derivative: synthesis, photoluminescence, and magnetism. Inorganic chemistry 54(3) (2015) 773-781
Space group: P 1 21/c 1
Cell volume: 3832.1
Cell parameters: 12.262; 16.562; 18.889; 90; 92.6; 90;

COD ID: 7218180
CIF file	Formula: - C24 H24 Br2 F5 N5 O3 - Comments: Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state CrystEngComm 17(1) (2015) 73 Space group: P 1 21/c 1 Cell volume: 2627 Cell parameters: 14.052; 10.029; 18.994; 90; 101.069; 90;

COD ID: 7218181
CIF file	Formula: - C32 H41 Br2 F4 N7 O5 - Comments: Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state CrystEngComm 17(1) (2015) 73 Space group: P n a 21 Cell volume: 3524.3 Cell parameters: 19.4138; 17.3697; 10.4512; 90; 90; 90;

COD ID: 7218182
CIF file	Formula: - C32 H41 F4 I2 N7 O5 - Comments: Bushuyev, Oleksandr S.; Tan, Davin; Barrett, Christopher J.; Friščić, Tomislav Fluorinated azobenzenes with highly strained geometries for halogen bond-driven self-assembly in the solid state CrystEngComm 17(1) (2015) 73 Space group: P n a 21 Cell volume: 3664.7 Cell parameters: 19.6801; 17.4108; 10.6952; 90; 90; 90;

COD ID: 1517812

Formula: - C33 H30 Cl Co N4 O7 -
Comments: Liu, Dengfeng; Zhang, Xingmei; Zhu, Luqun; Wu, Jing; Lü, Xingqiang Alternating ring-opening copolymerization of styrene oxide and maleic anhydride using asymmetrical bis-Schiff-base metal(iii) catalysts Catal. Sci. Technol. 5(1) (2015) 562
Space group: P -1
Cell volume: 1551.7
Cell parameters: 10.4178; 12.0725; 13.2955; 90.683; 110.55; 96.916;

COD ID: 1517813

Formula: - C35 H33 Br Cl Co N4 O7 -
Comments: Liu, Dengfeng; Zhang, Xingmei; Zhu, Luqun; Wu, Jing; Lü, Xingqiang Alternating ring-opening copolymerization of styrene oxide and maleic anhydride using asymmetrical bis-Schiff-base metal(iii) catalysts Catal. Sci. Technol. 5(1) (2015) 562
Space group: P -1
Cell volume: 1779.1
Cell parameters: 12.326; 12.7391; 13.0205; 62.534; 82.794; 79.008;

COD ID: 7115348

Formula: - C30 H25 N O5 -
Comments: Jardim, Guilherme A. M.; Guimarães, Tiago T.; Pinto, Maria do Carmo F. R.; Cavalcanti, Bruno C.; de Farias, Kaio M.; Pessoa, Claudia; Gatto, Claudia C.; Nair, Divya K.; Namboothiri, Irishi N. N.; da Silva Júnior, Eufrânio N. Naphthoquinone-based chalcone hybrids and derivatives: synthesis and potent activity against cancer cell lines Med. Chem. Commun. 6(1) (2015) 120
Space group: C 1 2/c 1
Cell volume: 4885.3
Cell parameters: 37.446; 10.0704; 13.1981; 90; 101.015; 90;

COD ID: 1517834
CIF file	Formula: - C16 H15 N5 O2 - Comments: Foy, Justin T.; Ray, Debdas; Aprahamian, Ivan Regulating signal enhancement with coordination-coupled deprotonation of a hydrazone switch Chem. Sci. 6(1) (2015) 209 Space group: P 1 21/c 1 Cell volume: 1499.61 Cell parameters: 11.641; 8.7512; 14.7356; 90; 92.598; 90;

COD ID: 1517835
CIF file	Formula: - C19 H20.5 Cl N6.5 O7 Zn - Comments: Foy, Justin T.; Ray, Debdas; Aprahamian, Ivan Regulating signal enhancement with coordination-coupled deprotonation of a hydrazone switch Chem. Sci. 6(1) (2015) 209 Space group: C 1 2/c 1 Cell volume: 4531.9 Cell parameters: 22.782; 7.5608; 26.996; 90; 102.942; 90;

COD ID: 7218262

Formula: - C25 H25 N O4 S -
Comments: Nagaraju, Anugula; Ramulu, B. Janaki; Shukla, Gaurav; Srivastava, Abhijeet; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar Catalyst-free one-pot four-component domino reactions in water‒PEG-400: highly efficient and convergent approach to thiazoloquinoline scaffolds Green Chem. 17(2) (2015) 950
Space group: P 1 21/c 1
Cell volume: 2223.57
Cell parameters: 12.2796; 11.7459; 15.808; 90; 102.781; 90;

COD ID: 7218263

Formula: - C31 H29 N O2 S -
Comments: Nagaraju, Anugula; Ramulu, B. Janaki; Shukla, Gaurav; Srivastava, Abhijeet; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar Catalyst-free one-pot four-component domino reactions in water‒PEG-400: highly efficient and convergent approach to thiazoloquinoline scaffolds Green Chem. 17(2) (2015) 950
Space group: P n a 21
Cell volume: 2719.5
Cell parameters: 16.581; 11.236; 14.597; 90; 90; 90;

COD ID: 7218264

Formula: - C22 H25 N O2 S -
Comments: Nagaraju, Anugula; Ramulu, B. Janaki; Shukla, Gaurav; Srivastava, Abhijeet; Verma, Girijesh Kumar; Raghuvanshi, Keshav; Singh, Maya Shankar Catalyst-free one-pot four-component domino reactions in water‒PEG-400: highly efficient and convergent approach to thiazoloquinoline scaffolds Green Chem. 17(2) (2015) 950
Space group: P 1 21/n 1
Cell volume: 1974.74
Cell parameters: 6.4263; 12.9536; 23.9037; 90; 97.062; 90;

COD ID: 4341155
CIF file	Formula: - Bi Eu Se3 - Comments: Forbes, Scott; Tseng, Yu-Chih; Mozharivskyj, Yurij Crystal Cluster Growth and Physical Properties of the EuSbSe3 and EuBiSe3 Phases. Inorganic chemistry 54(3) (2015) 815-820 Space group: P 21 21 21 Cell volume: 2195.9 Cell parameters: 33.329; 15.599; 4.2237; 90; 90; 90;

COD ID: 4341156
CIF file	Formula: - Eu Sb Se3 - Comments: Forbes, Scott; Tseng, Yu-Chih; Mozharivskyj, Yurij Crystal Cluster Growth and Physical Properties of the EuSbSe3 and EuBiSe3 Phases. Inorganic chemistry 54(3) (2015) 815-820 Space group: P 21 21 21 Cell volume: 2159.4 Cell parameters: 32.922; 15.407; 4.2573; 90; 90; 90;

COD ID: 7032687

Formula: - C26 H46 Li2 N4 O2 S2 -
Comments: Ludwig, Gerd; Rüffer, Tobias; Hoppe, André; Walther, Till; Lang, Heinrich; Ebbinghaus, Stefan G.; Steinborn, Dirk Lithiated sulfoxides: α-sulfinyl functionalized carbanions. Dalton transactions (Cambridge, England : 2003) 44(12) (2015) 5323-5330
Space group: P -1
Cell volume: 3156.8
Cell parameters: 9.359; 17.329; 21.126; 112.474; 93.934; 90.274;

COD ID: 7032688

Formula: - C28 H50 Li2 N4 O2 S2 -
Comments: Ludwig, Gerd; Rüffer, Tobias; Hoppe, André; Walther, Till; Lang, Heinrich; Ebbinghaus, Stefan G.; Steinborn, Dirk Lithiated sulfoxides: α-sulfinyl functionalized carbanions. Dalton transactions (Cambridge, England : 2003) 44(12) (2015) 5323-5330
Space group: P 1 21/c 1
Cell volume: 3349.7
Cell parameters: 19.731; 9.3082; 19.687; 90; 112.117; 90;

COD ID: 7032689

Formula: - C30 H54 Li2 N4 O2 S2 -
Comments: Ludwig, Gerd; Rüffer, Tobias; Hoppe, André; Walther, Till; Lang, Heinrich; Ebbinghaus, Stefan G.; Steinborn, Dirk Lithiated sulfoxides: α-sulfinyl functionalized carbanions. Dalton transactions (Cambridge, England : 2003) 44(12) (2015) 5323-5330
Space group: C 1 2/c 1
Cell volume: 3627.1
Cell parameters: 18.1825; 10.4665; 19.3943; 90; 100.665; 90;

COD ID: 7032690

Formula: - C42 H64 Li2 N4 O3 S2 -
Comments: Ludwig, Gerd; Rüffer, Tobias; Hoppe, André; Walther, Till; Lang, Heinrich; Ebbinghaus, Stefan G.; Steinborn, Dirk Lithiated sulfoxides: α-sulfinyl functionalized carbanions. Dalton transactions (Cambridge, England : 2003) 44(12) (2015) 5323-5330
Space group: C 1 2/c 1
Cell volume: 9288.2
Cell parameters: 32.7559; 14.9684; 19.0716; 90; 96.636; 90;

COD ID: 7032691

Formula: - C16 H18 O2 S -
Comments: Ludwig, Gerd; Rüffer, Tobias; Hoppe, André; Walther, Till; Lang, Heinrich; Ebbinghaus, Stefan G.; Steinborn, Dirk Lithiated sulfoxides: α-sulfinyl functionalized carbanions. Dalton transactions (Cambridge, England : 2003) 44(12) (2015) 5323-5330
Space group: P 1 21/c 1
Cell volume: 1397.13
Cell parameters: 8.9651; 11.9261; 13.2831; 90; 100.343; 90;

COD ID: 7032692

Formula: - C20 H18 O2 S -
Comments: Ludwig, Gerd; Rüffer, Tobias; Hoppe, André; Walther, Till; Lang, Heinrich; Ebbinghaus, Stefan G.; Steinborn, Dirk Lithiated sulfoxides: α-sulfinyl functionalized carbanions. Dalton transactions (Cambridge, England : 2003) 44(12) (2015) 5323-5330
Space group: P 1 21/c 1
Cell volume: 1651.63
Cell parameters: 11.2113; 6.4407; 24.169; 90; 108.848; 90;

COD ID: 7032693

Formula: - C26 H22 O2 S -
Comments: Ludwig, Gerd; Rüffer, Tobias; Hoppe, André; Walther, Till; Lang, Heinrich; Ebbinghaus, Stefan G.; Steinborn, Dirk Lithiated sulfoxides: α-sulfinyl functionalized carbanions. Dalton transactions (Cambridge, England : 2003) 44(12) (2015) 5323-5330
Space group: P 1 21/c 1
Cell volume: 1999.61
Cell parameters: 8.6995; 11.456; 20.8029; 90; 105.316; 90;

COD ID: 7218288
CIF file	Formula: - C17 H24 N2 O - Comments: Xie, Yanjun; Cheng, Xiufang; Liu, Saiwen; Chen, Hui; Zhou, Wang; Yang, Luo; Deng, Guo-Jun Efficient 4,5-dihydro-1H-imidazol-5-one formation from amidines and ketones under transition-metal free conditions Green Chem. 17(1) (2015) 209 Space group: C 1 2/c 1 Cell volume: 3193 Cell parameters: 29.745; 5.802; 19.967; 90; 112.103; 90;

COD ID: 1517851

Formula: - C23 H17 N O6 -
Comments: Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G. New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species Chem. Sci. 6(1) (2015) 123
Space group: P b c a
Cell volume: 3671.6
Cell parameters: 21.073; 7.448; 23.393; 90; 90; 90;

COD ID: 1517852