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Result : There are 25984 entries in the selection

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We are displaying first 300 results.

Searching year of publication is 2014

COD ID: 1543555

CIF file

Formula: - C11 H11 Cl Cu N4 O3 -
Comments: Palanisamy Sathyadevi; Paramasivam Krishnamoorthy; Rachel R. Butorac; Alan H. Cowley; Nallasamy Dharmaraj Novel ONN pincer type copper(II) hydrazide complexes: An investigation on the effect of electronegativity and ring size of heterocyclic hydrazides towards nucleic acid/protein binding, free radical scavenging and cytotoxicity Inorganica Chimica Acta 409B (2014) 185-194
Space group: P -1
Cell volume: 646.55
Cell parameters: 7.7107; 8.6088; 10.1043; 89.33; 76.717; 82.163;

COD ID: 7112182

CIF file

Formula: - C8 H7 Co2 O6 P -
Comments: Xiao-Jing Yang; Song-Song Bao; Min Ren; Norihisa Hoshino; Tomoyuki Akutagawa; Li-Min Zheng Polar metal phosphonate containing unusual mu/4-OH bridged double chains showing canted antiferromagnetism with large coercivity Chem.Commun. 50 (2014) 3979
Space group: C 1 c 1
Cell volume: 953.2
Cell parameters: 7.3437; 24.282; 5.3533; 90; 93.061; 90;

COD ID: 7112183
CIF file	Formula: - C16 H14 Cu4 O12 P2 - Comments: Xiao-Jing Yang; Song-Song Bao; Min Ren; Norihisa Hoshino; Tomoyuki Akutagawa; Li-Min Zheng Polar metal phosphonate containing unusual mu/4-OH bridged double chains showing canted antiferromagnetism with large coercivity Chem.Commun. 50 (2014) 3979 Space group: P c a 21 Cell volume: 2076 Cell parameters: 9.917; 7.45; 28.101; 90; 90; 90;

COD ID: 1542915
CIF file HKL data	Formula: - Fe11.52 Lu8 O56 Ti12.48 - Comments: T.V. Drokina; G.A. Petrakovskii; M.S. Molokeev; A. Arauzo; J. Bartolome Spin-glass Magnetism in RFeTi2O7 (R=Lu and Tb) Compounds Physics Procedia 75 (2014) 580-588 Space group: P c n b Cell volume: 967.606 Cell parameters: 9.80934; 13.50693; 7.303017; 90; 90; 90;

COD ID: 3500016
CIF file	Formula: - C36 H25 N O3 - Comments: John P Rappai Acta Personal communication to COD (2014) Space group: P -1 Cell volume: 1365.5 Cell parameters: 10.99; 11.41; 13.062; 109.668; 106.72; 104.309;

COD ID: 7153952

CIF file

Formula: - C32 H30 O16 -
Comments: Wu, Hao Chen; Ge, Hui Ming; Zang, Le Yun; Bei, Yun Cheng; Niu, Zhi Yuan; Wei, Wei; Feng, Xiu Jing; Ding, Sen; Ng, Seik Weng; Shen, Ping Ping; Tan, Ren Xiang Diaporine, a novel endophyte-derived regulator of macrophage differentiation. Organic & biomolecular chemistry 12(34) (2014) 6545-6548
Space group: P 1 21 1
Cell volume: 2951.7
Cell parameters: 11.1108; 14.8838; 17.8512; 90; 90.9022; 90;

COD ID: 1512487

CIF file

Formula: - Ag -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F m -3 m
Cell volume: 72.212
Cell parameters: 4.16424; 4.16424; 4.16424; 90; 90; 90;

COD ID: 1512488

CIF file

Formula: - Al -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F m -3 m
Cell volume: 65.949
Cell parameters: 4.0402; 4.0402; 4.0402; 90; 90; 90;

COD ID: 1512489

CIF file

Formula: - Ar -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F m -3 m
Cell volume: 210.708
Cell parameters: 5.95059; 5.95059; 5.95059; 90; 90; 90;

COD ID: 1512490

CIF file

Formula: - As -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: R -3 m :R
Cell volume: 45.464
Cell parameters: 4.21908; 4.21908; 4.21908; 53.8431; 53.8431; 53.8431;

COD ID: 1512491

CIF file

Formula: - Au -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F m -3 m
Cell volume: 72.205
Cell parameters: 4.16412; 4.16412; 4.16412; 90; 90; 90;

COD ID: 1512492

CIF file

Formula: - B -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: R -3 m :R
Cell volume: 87.025
Cell parameters: 5.05098; 5.05098; 5.05098; 58.0407; 58.0407; 58.0407;

COD ID: 1512493

CIF file

Formula: - Ba -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: I m -3 m
Cell volume: 127.106
Cell parameters: 5.02792; 5.02792; 5.02792; 90; 90; 90;

COD ID: 1512494

CIF file

Formula: - Be -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 63/m m c
Cell volume: 15.844
Cell parameters: 2.26276; 2.26276; 3.57316; 90; 90; 120;

COD ID: 1512495

CIF file

Formula: - Bi -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P -1
Cell volume: 76.548
Cell parameters: 4.6277; 4.62786; 4.91627; 118.074; 90.0036; 119.995;

COD ID: 1512496

CIF file

Formula: - Br -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: C m c a
Cell volume: 314.219
Cell parameters: 8.2286; 4.22731; 9.03323; 90; 90; 90;

COD ID: 1512497

CIF file

Formula: - C -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 63/m m c
Cell volume: 46.657
Cell parameters: 2.46857; 2.46857; 8.84079; 90; 90; 120;

COD ID: 1512498

CIF file

Formula: - Ca -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F m -3 m
Cell volume: 168.66
Cell parameters: 5.52507; 5.52507; 5.52507; 90; 90; 90;

COD ID: 1512499

CIF file

Formula: - Cd -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 63/m m c
Cell volume: 46.099
Cell parameters: 3.03716; 3.03716; 5.77061; 90; 90; 120;

COD ID: 1512500

CIF file

Formula: - Cl -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: C m c a
Cell volume: 305.429
Cell parameters: 7.77875; 4.34941; 9.02754; 90; 90; 90;

COD ID: 1512501

CIF file

Formula: - Co -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 63/m m c
Cell volume: 21.762
Cell parameters: 2.4968; 2.4968; 4.03081; 90; 90; 120;

COD ID: 1512502

CIF file

Formula: - Cr -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: I m -3 m
Cell volume: 23.665
Cell parameters: 2.871; 2.871; 2.871; 90; 90; 90;

COD ID: 1512503

CIF file

Formula: - Cs -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: I m -3 m
Cell volume: 233.919
Cell parameters: 6.16153; 6.16153; 6.16153; 90; 90; 90;

COD ID: 1512504

CIF file

Formula: - Cu -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F m -3 m
Cell volume: 48.105
Cell parameters: 3.63689; 3.63689; 3.63689; 90; 90; 90;

COD ID: 1512505

CIF file

Formula: - F -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: B 1 1 2/b
Cell volume: 156.187
Cell parameters: 6.1631; 6.92543; 3.68505; 90; 90; 83.2246;

COD ID: 1512506

CIF file

Formula: - Ga -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: C m c a
Cell volume: 162.871
Cell parameters: 4.56689; 7.7533; 4.59978; 90; 90; 90;

COD ID: 1512507

CIF file

Formula: - Ge -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F d -3 m :1
Cell volume: 191.279
Cell parameters: 5.76177; 5.76177; 5.76177; 90; 90; 90;

COD ID: 1512508

CIF file

Formula: - H -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 63/m m c
Cell volume: 69.588
Cell parameters: 4.00759; 4.00759; 5.00307; 90; 90; 120;

COD ID: 1512509

CIF file

Formula: - He -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 63/m m c
Cell volume: 35.449
Cell parameters: 2.92661; 2.92661; 4.77913; 90; 90; 120;

COD ID: 1512510

CIF file

Formula: - Hf -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 63/m m c
Cell volume: 44.847
Cell parameters: 3.19845; 3.19845; 5.06198; 90; 90; 120;

COD ID: 1512511

CIF file

Formula: - Hg -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: I 4/m m m
Cell volume: 56.54
Cell parameters: 3.86213; 3.86213; 3.79058; 90; 90; 90;

COD ID: 1512512

CIF file

Formula: - I -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: C m c a
Cell volume: 397.796
Cell parameters: 8.57701; 4.55422; 10.18381; 90; 90; 90;

COD ID: 1512513

CIF file

Formula: - In -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: I 4/m m m
Cell volume: 55.078
Cell parameters: 3.29841; 3.29841; 5.06256; 90; 90; 90;

COD ID: 1512514

CIF file

Formula: - Ir -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F m -3 m
Cell volume: 58.445
Cell parameters: 3.88075; 3.88075; 3.88075; 90; 90; 90;

COD ID: 1512515

CIF file

Formula: - K -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: I m -3 m
Cell volume: 147.691
Cell parameters: 5.28589; 5.28589; 5.28589; 90; 90; 90;

COD ID: 1512516

CIF file

Formula: - Kr -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F m -3 m
Cell volume: 265.761
Cell parameters: 6.4293; 6.4293; 6.4293; 90; 90; 90;

COD ID: 1512517

CIF file

Formula: - Li -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: R -3 m :R
Cell volume: 60.854
Cell parameters: 7.64004; 7.64004; 7.64004; 23.22; 23.22; 23.22;

COD ID: 1512518

CIF file

Formula: - Lu -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 63/m m c
Cell volume: 58.638
Cell parameters: 3.51795; 3.51795; 5.47102; 90; 90; 120;

COD ID: 1512519

CIF file

Formula: - Mg -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 63/m m c
Cell volume: 45.695
Cell parameters: 3.19405; 3.19405; 5.17198; 90; 90; 120;

COD ID: 1512520

CIF file

Formula: - Mn -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: I -4 3 m
Cell volume: 644.041
Cell parameters: 8.63584; 8.63584; 8.63584; 90; 90; 90;

COD ID: 1512521

CIF file

Formula: - Mo -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: I m -3 m
Cell volume: 31.834
Cell parameters: 3.1693; 3.1693; 3.1693; 90; 90; 90;

COD ID: 1512522

CIF file

Formula: - N -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P a -3
Cell volume: 237.198
Cell parameters: 6.19019; 6.19019; 6.19019; 90; 90; 90;

COD ID: 1512523

CIF file

Formula: - Na -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: R -3 m :R
Cell volume: 111.21
Cell parameters: 9.41813; 9.41813; 9.41813; 22.922; 22.922; 22.922;

COD ID: 1512524

CIF file

Formula: - Nb -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: I m -3 m
Cell volume: 36.673
Cell parameters: 3.32239; 3.32239; 3.32239; 90; 90; 90;

COD ID: 1512525

CIF file

Formula: - Ne -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F m -3 m
Cell volume: 98.779
Cell parameters: 4.62262; 4.62262; 4.62262; 90; 90; 90;

COD ID: 1512526

CIF file

Formula: - Ni -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F m -3 m
Cell volume: 43.768
Cell parameters: 3.52414; 3.52414; 3.52414; 90; 90; 90;

COD ID: 1512527

CIF file

Formula: - O -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: B 1 1 2/m
Cell volume: 76.717
Cell parameters: 4.27163; 4.86933; 4.27682; 90; 90; 120.412;

COD ID: 1512528

CIF file

Formula: - Os -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 63/m m c
Cell volume: 28.887
Cell parameters: 2.76533; 2.76533; 4.36196; 90; 90; 120;

COD ID: 1512529

CIF file

Formula: - P -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: C m c a
Cell volume: 171.034
Cell parameters: 3.30466; 11.31693; 4.57327; 90; 90; 90;

COD ID: 1512530

CIF file

Formula: - Pb -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F m -3 m
Cell volume: 129.061
Cell parameters: 5.05357; 5.05357; 5.05357; 90; 90; 90;

COD ID: 1512531

CIF file

Formula: - Pd -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F m -3 m
Cell volume: 61.777
Cell parameters: 3.95315; 3.95315; 3.95315; 90; 90; 90;

COD ID: 1512532

CIF file

Formula: - Po -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P m -3 m
Cell volume: 39.615
Cell parameters: 3.40895; 3.40895; 3.40895; 90; 90; 90;

COD ID: 1512533

CIF file

Formula: - Rb -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: I m -3 m
Cell volume: 182.474
Cell parameters: 5.67197; 5.67197; 5.67197; 90; 90; 90;

COD ID: 1512534

CIF file

Formula: - Re -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P -1
Cell volume: 29.921
Cell parameters: 2.77709; 2.77716; 4.47963; 89.9921; 89.9929; 60.0013;

COD ID: 1512535

CIF file

Formula: - Rh -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F m -3 m
Cell volume: 56.716
Cell parameters: 3.8421; 3.8421; 3.8421; 90; 90; 90;

COD ID: 1512536

CIF file

Formula: - Rn -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F m -3 m
Cell volume: 358.406
Cell parameters: 7.10327; 7.10327; 7.10327; 90; 90; 90;

COD ID: 1512537

CIF file

Formula: - Ru -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 63/m m c
Cell volume: 27.688
Cell parameters: 2.72661; 2.72661; 4.3005; 90; 90; 120;

COD ID: 1512538

CIF file

Formula: - Sb -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: R -3 m :R
Cell volume: 63.58
Cell parameters: 4.58634; 4.58634; 4.58634; 57.0518; 57.0518; 57.0518;

COD ID: 1512539

CIF file

Formula: - Sc -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 63/m m c
Cell volume: 49.317
Cell parameters: 3.32145; 3.32145; 5.16192; 90; 90; 120;

COD ID: 1512540

CIF file

Formula: - Se -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 31 2 1
Cell volume: 89.531
Cell parameters: 4.52464; 4.52464; 5.04978; 90; 90; 120;

COD ID: 1512541

CIF file

Formula: - Si -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F d -3 m :1
Cell volume: 163.569
Cell parameters: 5.4689; 5.4689; 5.4689; 90; 90; 90;

COD ID: 1512542

CIF file

Formula: - Sn -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F d -3 m :1
Cell volume: 294.871
Cell parameters: 6.65596; 6.65596; 6.65596; 90; 90; 90;

COD ID: 1512543

CIF file

Formula: - Sr -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F m -3 m
Cell volume: 218.134
Cell parameters: 6.01969; 6.01969; 6.01969; 90; 90; 90;

COD ID: 1512544

CIF file

Formula: - Ta -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: I m -3 m
Cell volume: 36.607
Cell parameters: 3.32038; 3.32038; 3.32038; 90; 90; 90;

COD ID: 1512545

CIF file

Formula: - Tc -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 63/m m c
Cell volume: 29.192
Cell parameters: 2.76187; 2.76187; 4.41905; 90; 90; 120;

COD ID: 1512546

CIF file

Formula: - Te -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 31 2 1
Cell volume: 104.948
Cell parameters: 4.50788; 4.50788; 5.96346; 90; 90; 120;

COD ID: 1512547

CIF file

Formula: - Ti -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 63/m m c
Cell volume: 34.743
Cell parameters: 2.93664; 2.93664; 4.65193; 90; 90; 120;

COD ID: 1512548

CIF file

Formula: - Tl -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 63/m m c
Cell volume: 62.345
Cell parameters: 3.57889; 3.57889; 5.62049; 90; 90; 120;

COD ID: 1512549

CIF file

Formula: - V -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: I m -3 m
Cell volume: 26.971
Cell parameters: 2.99894; 2.99894; 2.99894; 90; 90; 90;

COD ID: 1512550

CIF file

Formula: - W -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: I m -3 m
Cell volume: 32.553
Cell parameters: 3.19298; 3.19298; 3.19298; 90; 90; 90;

COD ID: 1512551

CIF file

Formula: - Xe -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F m -3 m
Cell volume: 351.122
Cell parameters: 7.05482; 7.05482; 7.05482; 90; 90; 90;

COD ID: 1512552

CIF file

Formula: - Y -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 63/m m c
Cell volume: 65.842
Cell parameters: 3.66051; 3.66051; 5.67399; 90; 90; 120;

COD ID: 1512553

CIF file

Formula: - Zn -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 63/m m c
Cell volume: 30.702
Cell parameters: 2.66169; 2.66169; 5.00397; 90; 90; 120;

COD ID: 1512554

CIF file

Formula: - Zr -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: P 63/m m c
Cell volume: 47.063
Cell parameters: 3.23603; 3.23603; 5.18953; 90; 90; 120;

COD ID: 1512555

CIF file

Formula: - Fe -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: I m -3 m
Cell volume: 22.75
Cell parameters: 2.833512598; 2.833512598; 2.833512598; 90; 90; 90;

COD ID: 1512556

CIF file

Formula: - Pt -
Comments: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals Critical Reviews in Solid State and Materials Sciences 39(1) (2014) 1
Space group: F m -3 m
Cell volume: 63.126
Cell parameters: 3.9817; 3.9817; 3.9817; 90; 90; 90;

COD ID: 1513210
CIF file	Formula: - C72 H114 N0 O73 - Comments: Bojidarka Ivanova; Michael Spiteller Macromolecular ensembles of cyclodextrin crystallohydrates and clathrates experimental and theoretical gas and condense phase study International Journal of Biological Macromolecules ? (2014) ? Space group: P 21 21 21 Cell volume: 5010.6 Cell parameters: 9.4126; 14.233; 37.401; 90; 90; 90;

COD ID: 1513211
CIF file	Formula: - C43 H70 O39 - Comments: Bojidarka Ivanova; Michael Spiteller Macromolecular ensembles of cyclodextrin crystallohydrates and clathrates experimental and theoretical gas and condense phase study International Journal of Biological Macromolecules ? (2014) ? Space group: P 1 21 1 Cell volume: 3054.4 Cell parameters: 15.1625; 10.255; 20.9687; 90; 110.479; 90;

COD ID: 7110170
CIF file	Formula: - C30 H33 N2 O2 P - Comments: Roberta R. Rodrigues; Christopher L. Dorsey; Chelsee A. Arceneaux; Todd W. Hudnall Phosphaalkene vs. phosphinidene: the nature of the P-C bond in carbonyl-decorated carbene > PPh adducts Chem.Commun. 50 (2014) 162 Space group: P b c a Cell volume: 5389 Cell parameters: 14.4029; 14.4398; 25.9117; 90; 90; 90;

COD ID: 7110171
CIF file	Formula: - C27 H27 N2 O2 P - Comments: Roberta R. Rodrigues; Christopher L. Dorsey; Chelsee A. Arceneaux; Todd W. Hudnall Phosphaalkene vs. phosphinidene: the nature of the P-C bond in carbonyl-decorated carbene > PPh adducts Chem.Commun. 50 (2014) 162 Space group: P 21 21 21 Cell volume: 2426 Cell parameters: 8.1331; 12.6193; 23.637; 90; 90; 90;

COD ID: 7110172
CIF file	Formula: - C25 H28 Cl F3 N2 O5 S - Comments: Roberta R. Rodrigues; Christopher L. Dorsey; Chelsee A. Arceneaux; Todd W. Hudnall Phosphaalkene vs. phosphinidene: the nature of the P-C bond in carbonyl-decorated carbene > PPh adducts Chem.Commun. 50 (2014) 162 Space group: P 1 21/c 1 Cell volume: 2752.7 Cell parameters: 8.7462; 16.7795; 18.8733; 90; 96.361; 90;

COD ID: 1513212
CIF file	Formula: - C40 H70 N0 O40 - Comments: Bojidarka Ivanova; Michael Spiteller Macromolecular ensembles of cyclodextrin crystallohydrates and clathrates experimental and theoretical gas and condense phase study International Journal of Biological Macromolecules ? (2014) ? Space group: P 1 21 1 Cell volume: 3015.6 Cell parameters: 15.1417; 10.184; 20.937; 90; 110.926; 90;

COD ID: 1513213

CIF file

Formula: - D3 K Mg N2 -
Comments: Napolitano, Emilio; Dolci, Francesco; Campesi, Renato; Pistidda, Claudio; Hoelzel, Markus; Moretto, Pietro; Enzo, Stefano Corrigendum to Crystal structure solution of KMg(ND)(ND2): An ordered mixed amide/imide compound. Int.J.Hydro.Eneg 39 (2014) 8181-8183
Space group: P n m a
Cell volume: 338.725
Cell parameters: 9.3497; 3.6631; 9.8901; 90; 90; 90;

COD ID: 7110173
CIF file	Formula: - C34 H53 B N6 S Zn - Comments: Allan Jay P. Cardenas; Rebecca Abelman; Timothy H. Warren Conversion of nitrite to nitric oxide at zinc via S-nitrosothiols Chem.Commun. 50 (2014) 168 Space group: P 1 21/c 1 Cell volume: 3597.8 Cell parameters: 17.0962; 12.391; 17.5534; 90; 104.637; 90;

COD ID: 7110174
CIF file	Formula: - C29 H49 B N6 O2 Zn - Comments: Allan Jay P. Cardenas; Rebecca Abelman; Timothy H. Warren Conversion of nitrite to nitric oxide at zinc via S-nitrosothiols Chem.Commun. 50 (2014) 168 Space group: P 1 21/n 1 Cell volume: 3148.8 Cell parameters: 12.2024; 16.263; 15.918; 90; 94.572; 90;

COD ID: 7110175
CIF file	Formula: - C26 H48 Er N3 Si3 - Comments: Zhuo Chai; Dezhi Hua; Kui Li; Jiang Chu; Gaosheng Yang A novel chiral yttrium complex with a tridentate linked amido-indenyl ligand for intramolecular hydroamination Chem.Commun. 50 (2014) 177 Space group: P 21 21 21 Cell volume: 3202.6 Cell parameters: 11.1762; 15.744; 18.2008; 90; 90; 90;

COD ID: 7110176
CIF file	Formula: - C26 H48 N3 Si3 Y - Comments: Zhuo Chai; Dezhi Hua; Kui Li; Jiang Chu; Gaosheng Yang A novel chiral yttrium complex with a tridentate linked amido-indenyl ligand for intramolecular hydroamination Chem.Commun. 50 (2014) 177 Space group: P 21 21 21 Cell volume: 3166.2 Cell parameters: 11.1504; 16.584; 17.122; 90; 90; 90;

COD ID: 7110177
CIF file	Formula: - C24 H22 Br N O - Comments: Zhuo Chai; Dezhi Hua; Kui Li; Jiang Chu; Gaosheng Yang A novel chiral yttrium complex with a tridentate linked amido-indenyl ligand for intramolecular hydroamination Chem.Commun. 50 (2014) 177 Space group: P 21 21 21 Cell volume: 1997.8 Cell parameters: 10.3286; 11.6063; 16.6657; 90; 90; 90;

COD ID: 7110178
CIF file	Formula: - C25 H24 Br N O - Comments: Zhuo Chai; Dezhi Hua; Kui Li; Jiang Chu; Gaosheng Yang A novel chiral yttrium complex with a tridentate linked amido-indenyl ligand for intramolecular hydroamination Chem.Commun. 50 (2014) 177 Space group: P 1 21 1 Cell volume: 1057.41 Cell parameters: 8.7847; 12.8744; 9.3892; 90; 95.271; 90;

COD ID: 7110179
CIF file	Formula: - C14 H18 Br N O - Comments: Zhuo Chai; Dezhi Hua; Kui Li; Jiang Chu; Gaosheng Yang A novel chiral yttrium complex with a tridentate linked amido-indenyl ligand for intramolecular hydroamination Chem.Commun. 50 (2014) 177 Space group: P 21 21 21 Cell volume: 1409.5 Cell parameters: 7.487; 9.5208; 19.774; 90; 90; 90;

COD ID: 7110180
CIF file	Formula: - C48 H36 O19 Zn4 - Comments: Sung Min Shin; Mi Sun Lee; Ji Hee Han; Nakcheol Jeong Assessing the guest-accessible volume in MOFs using two-photon fluorescence microscopy Chem.Commun. 50 (2014) 289 Space group: P -4 3 m Cell volume: 5053.65 Cell parameters: 17.1607; 17.1607; 17.1607; 90; 90; 90;

COD ID: 7110181
CIF file	Formula: - C24 H25 N O - Comments: Sujit Mahato; Surajit Haldar; Chandan K. Jana Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines Chem.Commun. 50 (2014) 332 Space group: P b c a Cell volume: 3814.3 Cell parameters: 15.277; 12.2434; 20.3925; 90; 90; 90;

COD ID: 7110182
CIF file	Formula: - C25 H21 N O - Comments: Sujit Mahato; Surajit Haldar; Chandan K. Jana Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines Chem.Commun. 50 (2014) 332 Space group: P n a 21 Cell volume: 1909.63 Cell parameters: 11.7114; 17.5321; 9.3005; 90; 90; 90;

COD ID: 7110183
CIF file	Formula: - C21 H19 N O2 - Comments: Sujit Mahato; Surajit Haldar; Chandan K. Jana Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines Chem.Commun. 50 (2014) 332 Space group: P 1 21/n 1 Cell volume: 1632.3 Cell parameters: 16.6693; 6.1313; 17.7664; 90; 115.984; 90;

COD ID: 7110184
CIF file	Formula: - C27 H25 N O2 - Comments: Sujit Mahato; Surajit Haldar; Chandan K. Jana Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines Chem.Commun. 50 (2014) 332 Space group: C 1 2/c 1 Cell volume: 4290.4 Cell parameters: 26.2548; 9.6138; 17.4876; 90; 103.593; 90;

COD ID: 7110185
CIF file	Formula: - C22 H21 N O2 - Comments: Sujit Mahato; Surajit Haldar; Chandan K. Jana Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines Chem.Commun. 50 (2014) 332 Space group: P -1 Cell volume: 1719.3 Cell parameters: 6.5142; 8.4766; 32.727; 89.968; 89.725; 72.066;

COD ID: 7110186
CIF file	Formula: - C20 H18 N2 O - Comments: Sujit Mahato; Surajit Haldar; Chandan K. Jana Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines Chem.Commun. 50 (2014) 332 Space group: P 1 21/c 1 Cell volume: 1551.79 Cell parameters: 10.5276; 8.353; 18.04; 90; 101.988; 90;

COD ID: 7110187
CIF file	Formula: - C21 H21 N O - Comments: Sujit Mahato; Surajit Haldar; Chandan K. Jana Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines Chem.Commun. 50 (2014) 332 Space group: P 1 21/c 1 Cell volume: 1689.95 Cell parameters: 8.4433; 11.6711; 17.1926; 90; 94.061; 90;

COD ID: 7110188
CIF file	Formula: - C22 H20 N2 O3 - Comments: Sujit Mahato; Surajit Haldar; Chandan K. Jana Diastereoselective alpha-C-H functionalization of aliphatic N-heterocycles: an efficient route to ring fused oxazines Chem.Commun. 50 (2014) 332 Space group: P c a 21 Cell volume: 1829.6 Cell parameters: 8.8679; 15.764; 13.088; 90; 90; 90;

COD ID: 7110189
CIF file	Formula: - C79.5 H56 N8 O2.5 S Zn2 - Comments: Aoife A. Ryan; Shane Plunkett; Aoife Casey; Thomas McCabe; Mathias O. Senge From thioether substituted porphyrins to sulfur linked porphyrin dimers: an unusual S/NΑr via thiolate displacement? Chem.Commun. 50 (2014) 353 Space group: P -1 Cell volume: 3140 Cell parameters: 12.2362; 15.0184; 17.9322; 99.999; 103.404; 93.376;

COD ID: 7110190
CIF file	Formula: - C35 H56 Ir2 N4 O3 - Comments: Byron J. Truscott; David J. Nelson; Alexandra M. Z. Slawin; Steven P. Nolan CO2 fixation employing an iridium(I)-hydroxide complex Chem.Commun. 50 (2014) 286 Space group: P 1 21/c 1 Cell volume: 3553 Cell parameters: 12.4; 18.055; 16.422; 90; 104.901; 90;

COD ID: 7110191
CIF file	Formula: - C25 H36 Ir N3 O2 - Comments: Byron J. Truscott; David J. Nelson; Alexandra M. Z. Slawin; Steven P. Nolan CO2 fixation employing an iridium(I)-hydroxide complex Chem.Commun. 50 (2014) 286 Space group: P 1 21/c 1 Cell volume: 2505 Cell parameters: 11.646; 18.536; 12.31; 90; 109.501; 90;

COD ID: 7110192
CIF file	Formula: - C17 H12 I2 N2 O2 - Comments: Xiaorong Wang; Daniel Fortin; Gessie Brisard; Pierre D. Harvey Electronic communication across N-linked unconjugated polymers: important insight into the charge transfer processes of polyaniline Chem.Commun. 50 (2014) 350 Space group: C 1 2 1 Cell volume: 1626 Cell parameters: 25.385; 4.1207; 15.706; 90; 98.23; 90;

COD ID: 7110193
CIF file	Formula: - C30 H34 N2 O2 Si2 - Comments: Xiaorong Wang; Daniel Fortin; Gessie Brisard; Pierre D. Harvey Electronic communication across N-linked unconjugated polymers: important insight into the charge transfer processes of polyaniline Chem.Commun. 50 (2014) 350 Space group: P 1 21/c 1 Cell volume: 2890.29 Cell parameters: 12.4957; 22.4434; 11.2136; 90; 113.21; 90;

COD ID: 7110194
CIF file	Formula: - C24 H24 N2 O2 S - Comments: Dinesh Pratapsinh Chauhan; Sreejith Jayasree Varma; Arjun Vijeta; Pallavi Banerjee; Pinaki Talukdar A 1,3-amino group migration route to form acrylamidines Chem.Commun. 50 (2014) 323 Space group: C 1 2/c 1 Cell volume: 4297.6 Cell parameters: 20.925; 11.0264; 18.65; 90; 92.884; 90;

COD ID: 7110195
CIF file	Formula: - C29 H32 N2 O4 S - Comments: Dinesh Pratapsinh Chauhan; Sreejith Jayasree Varma; Arjun Vijeta; Pallavi Banerjee; Pinaki Talukdar A 1,3-amino group migration route to form acrylamidines Chem.Commun. 50 (2014) 323 Space group: P 1 21 1 Cell volume: 1330.3 Cell parameters: 9.7934; 11.215; 12.187; 90; 96.377; 90;

COD ID: 7110196
CIF file	Formula: - C14 H18 N2 O3 S - Comments: Dinesh Pratapsinh Chauhan; Sreejith Jayasree Varma; Arjun Vijeta; Pallavi Banerjee; Pinaki Talukdar A 1,3-amino group migration route to form acrylamidines Chem.Commun. 50 (2014) 323 Space group: P 1 21/n 1 Cell volume: 2866.8 Cell parameters: 8.266; 25.831; 13.5551; 90; 97.899; 90;

COD ID: 7110197
CIF file	Formula: - C21 H26 N2 O3 S - Comments: Dinesh Pratapsinh Chauhan; Sreejith Jayasree Varma; Arjun Vijeta; Pallavi Banerjee; Pinaki Talukdar A 1,3-amino group migration route to form acrylamidines Chem.Commun. 50 (2014) 323 Space group: P -1 Cell volume: 979.7 Cell parameters: 9.0234; 9.3284; 12.4285; 76.805; 86.796; 74.132;

COD ID: 7110198

CIF file

Formula: - C43.18 H37.25 Cl2.86 F12 N8 O0.94 P2 Ru -
Comments: Erin Wachter; Brock S. Howerton; Emily C. Hall; Sean Parkin; Edith C. Glazer A new type of DNA 'light-switch': a dual photochemical sensor and metalating agent for duplex and G-quadruplex DNA Chem.Commun. 50 (2014) 311
Space group: P -1
Cell volume: 4863.9
Cell parameters: 17.115; 17.367; 17.373; 81.255; 89.146; 72.459;

COD ID: 7110199

CIF file

Formula: - C40.89 H31.78 Cl1.78 F12 N8 P2 Ru -
Comments: Erin Wachter; Brock S. Howerton; Emily C. Hall; Sean Parkin; Edith C. Glazer A new type of DNA 'light-switch': a dual photochemical sensor and metalating agent for duplex and G-quadruplex DNA Chem.Commun. 50 (2014) 311
Space group: P 1 21/c 1
Cell volume: 8505.6
Cell parameters: 14.5892; 38.7805; 15.4066; 90; 102.636; 90;

COD ID: 7110200
CIF file	Formula: - C8 H28 Al2 B7 In N6 O16 - Comments: Lin Cheng; Guo-Yu Yang A novel aluminoborate open-framework [In(dien)2][Al2B7O16H2] with large chiral cavities templated by chiral main group metal complexes Chem.Commun. 50 (2014) 344 Space group: I 41/a c d :2 Cell volume: 4932 Cell parameters: 16.107; 16.107; 19.012; 90; 90; 90;

COD ID: 7110201

CIF file

Formula: - C41 H48 Cl2 Cu2 N6 O16 -
Comments: Constance Bochot; Aurelie Gouron; Luigi Bubacco; Anne Milet; Christian Philouze; Marius Reglier; Guy Serratrice; Helene Jamet; Catherine Belle Probing kojic acid binding to tyrosinase enzyme: insights from a model complex and QM/MM calculations Chem.Commun. 50 (2014) 308
Space group: P -1
Cell volume: 2299.7
Cell parameters: 10.807; 11.252; 20.073; 76.82; 75.42; 85.76;

COD ID: 7110202
CIF file	Formula: - C27 H48 N9 O19.5 - Comments: Atchutarao Pathigoolla; Kana M. Sureshan Reverse-CD mimics with flexible linkages offer adaptable cavity sizes for guest encapsulation Chem.Commun. 50 (2014) 317 Space group: P 1 21 1 Cell volume: 3589.84 Cell parameters: 14.434; 14.233; 17.487; 90; 92.21; 90;

COD ID: 7110203
CIF file	Formula: - C21 H29 Al Br N - Comments: Jillian A. Hatnean; Jordan W. Thomson; Preston A. Chase; Douglas W. Stephan Imine hydrogenation by alkylaluminum catalysts Chem.Commun. 50 (2014) 301 Space group: P -1 Cell volume: 1021.5 Cell parameters: 9.5329; 11.3713; 11.5117; 99.77; 110.985; 111.068;

COD ID: 7110204
CIF file	Formula: - C15 H14 O2 - Comments: Kazuhiro Hata; Zhiheng He; Constantin Gabriel Daniliuc; Kenichiro Itami; Armido Studer Synthesis of dihydrobenzo[b]furans by diastereoselective acyloxyarylation Chem.Commun. 50 (2014) 463 Space group: R -3 :H Cell volume: 5679.6 Cell parameters: 25.2302; 25.2302; 10.3026; 90; 90; 120;

COD ID: 7110205
CIF file	Formula: - C20 H22 O3 - Comments: Kazuhiro Hata; Zhiheng He; Constantin Gabriel Daniliuc; Kenichiro Itami; Armido Studer Synthesis of dihydrobenzo[b]furans by diastereoselective acyloxyarylation Chem.Commun. 50 (2014) 463 Space group: P 1 21/c 1 Cell volume: 1713.03 Cell parameters: 12.9968; 13.4352; 10.0076; 90; 101.394; 90;

COD ID: 7110206
CIF file	Formula: - C14 H16 N2 O4 - Comments: M. Su; Maria Tomas-Gamasa; S. Serdjukow; P. Mayer; T. Carell Synthesis and properties of a Cu(II) complexing pyrazole ligandoside in DNA Chem.Commun. 50 (2014) 409 Space group: P 1 21 1 Cell volume: 646.84 Cell parameters: 11.863; 4.8437; 12.6119; 90; 116.802; 90;

COD ID: 7110207
CIF file	Formula: - C16 H21 Br O4 - Comments: Yu Peng; Xiao-Bo Xu; Jian Xiao; Ya-Wen Wang Nickel-mediated stereocontrolled synthesis of spiroketals via tandem cyclization-coupling of beta-bromo ketals and aryl iodides Chem.Commun. 50 (2014) 472 Space group: P 1 21/n 1 Cell volume: 1633.7 Cell parameters: 8.3184; 10.279; 19.396; 90; 99.917; 90;

COD ID: 7110208
CIF file	Formula: - C23 H28 O5 - Comments: Yu Peng; Xiao-Bo Xu; Jian Xiao; Ya-Wen Wang Nickel-mediated stereocontrolled synthesis of spiroketals via tandem cyclization-coupling of beta-bromo ketals and aryl iodides Chem.Commun. 50 (2014) 472 Space group: P -1 Cell volume: 1024 Cell parameters: 6.143; 8.81; 19.64; 83.8; 83.37; 76.77;

COD ID: 7110209
CIF file	Formula: - C21 H24 O5 S - Comments: Yu Peng; Xiao-Bo Xu; Jian Xiao; Ya-Wen Wang Nickel-mediated stereocontrolled synthesis of spiroketals via tandem cyclization-coupling of beta-bromo ketals and aryl iodides Chem.Commun. 50 (2014) 472 Space group: P 1 21/c 1 Cell volume: 2021 Cell parameters: 11.215; 9.284; 19.41; 90; 90.341; 90;

COD ID: 7110210
CIF file	Formula: - C21 H24 O5 S - Comments: Yu Peng; Xiao-Bo Xu; Jian Xiao; Ya-Wen Wang Nickel-mediated stereocontrolled synthesis of spiroketals via tandem cyclization-coupling of beta-bromo ketals and aryl iodides Chem.Commun. 50 (2014) 472 Space group: P 1 21/c 1 Cell volume: 1954 Cell parameters: 11.137; 9.246; 18.976; 90; 90.813; 90;

COD ID: 7110211
CIF file	Formula: - C16 H20 I2 O2 - Comments: Yu Peng; Xiao-Bo Xu; Jian Xiao; Ya-Wen Wang Nickel-mediated stereocontrolled synthesis of spiroketals via tandem cyclization-coupling of beta-bromo ketals and aryl iodides Chem.Commun. 50 (2014) 472 Space group: P 1 21/c 1 Cell volume: 3539 Cell parameters: 8.616; 22.68; 18.209; 90; 96.02; 90;

COD ID: 7110212
CIF file	Formula: - C66 H152 N24 Sc6 - Comments: Peng Cui; Thomas P. Spaniol; Laurent Maron; Jun Okuda An ion pair scandium hydride supported by a dianionic (NNNN)-type macrocycle ligand Chem.Commun. 50 (2014) 424 Space group: P 1 21/c 1 Cell volume: 8080.4 Cell parameters: 18.0667; 19.2883; 28.4424; 90; 125.387; 90;

COD ID: 7110213
CIF file	Formula: - C22 H50 N8 Sc2 - Comments: Peng Cui; Thomas P. Spaniol; Laurent Maron; Jun Okuda An ion pair scandium hydride supported by a dianionic (NNNN)-type macrocycle ligand Chem.Commun. 50 (2014) 424 Space group: P 1 21/c 1 Cell volume: 2734.1 Cell parameters: 14.1746; 11.2268; 17.1826; 90; 90.8428; 90;

COD ID: 7110214
CIF file	Formula: - C120 H243 N36 O3 S3 Sc9 - Comments: Peng Cui; Thomas P. Spaniol; Laurent Maron; Jun Okuda An ion pair scandium hydride supported by a dianionic (NNNN)-type macrocycle ligand Chem.Commun. 50 (2014) 424 Space group: P 63 Cell volume: 6866.3 Cell parameters: 19.2442; 19.2442; 21.4089; 90; 90; 120;

COD ID: 7110215
CIF file	Formula: - C28 H24 N2 O4 Zn - Comments: Anjana Chanthapally; Wei Ting Oh; Jagadese J. Vittal Photoreactivity of polymorphs of a ladder polymer with criss-cross and parallel orientations of C[double bond, length as m-dash]C bonds Chem.Commun. 50 (2014) 451 Space group: P -1 Cell volume: 1183.3 Cell parameters: 10.2881; 11.0671; 11.2031; 88.609; 70.855; 79.324;

COD ID: 7110216
CIF file	Formula: - C28 H24 N2 O4 Zn - Comments: Anjana Chanthapally; Wei Ting Oh; Jagadese J. Vittal Photoreactivity of polymorphs of a ladder polymer with criss-cross and parallel orientations of C[double bond, length as m-dash]C bonds Chem.Commun. 50 (2014) 451 Space group: C 1 2/c 1 Cell volume: 4807.1 Cell parameters: 15.6758; 13.6884; 22.957; 90; 102.617; 90;

COD ID: 7110217
CIF file	Formula: - C22 H19 N O4 Zn - Comments: Anjana Chanthapally; Wei Ting Oh; Jagadese J. Vittal Photoreactivity of polymorphs of a ladder polymer with criss-cross and parallel orientations of C[double bond, length as m-dash]C bonds Chem.Commun. 50 (2014) 451 Space group: P -1 Cell volume: 969.8 Cell parameters: 8.2441; 11.3889; 11.8203; 67.142; 72.808; 77.218;

COD ID: 7110218
CIF file	Formula: - C28 H24 N2 O4 Zn - Comments: Anjana Chanthapally; Wei Ting Oh; Jagadese J. Vittal Photoreactivity of polymorphs of a ladder polymer with criss-cross and parallel orientations of C[double bond, length as m-dash]C bonds Chem.Commun. 50 (2014) 451 Space group: P -1 Cell volume: 1178.8 Cell parameters: 10.208; 10.368; 11.703; 87.864; 74.045; 81.843;

COD ID: 7110219

CIF file

Formula: - C37 H49 Ge N13 -
Comments: Yun Xiong; Shenglai Yao; Matthias Driess Synthesis and structure of the azidogermyliumylidene azide complex [L(N3)Ge:]^+^N3^-^ with covalently and ionically bonded azide ligands at germanium(II) [L = bis(N-heterocyclic carbene)] Chem.Commun. 50 (2014) 418
Space group: P 1 21/c 1
Cell volume: 3975.8
Cell parameters: 18.2975; 15.668; 15.2402; 90; 114.497; 90;

COD ID: 7110220

CIF file

Formula: - C58 H64.5 B Cl Ge N5.5 -
Comments: Yun Xiong; Shenglai Yao; Matthias Driess Synthesis and structure of the azidogermyliumylidene azide complex [L(N3)Ge:]^+^N3^-^ with covalently and ionically bonded azide ligands at germanium(II) [L = bis(N-heterocyclic carbene)] Chem.Commun. 50 (2014) 418
Space group: P 1 21/c 1
Cell volume: 5350.1
Cell parameters: 14.1255; 12.1448; 31.202; 90; 91.799; 90;

COD ID: 7110221

CIF file

Formula: - C57 H63 B Ge N8 -
Comments: Yun Xiong; Shenglai Yao; Matthias Driess Synthesis and structure of the azidogermyliumylidene azide complex [L(N3)Ge:]^+^N3^-^ with covalently and ionically bonded azide ligands at germanium(II) [L = bis(N-heterocyclic carbene)] Chem.Commun. 50 (2014) 418
Space group: P 1 21/c 1
Cell volume: 5380.1
Cell parameters: 14.1299; 12.315; 30.9315; 90; 91.667; 90;

COD ID: 7110222
CIF file	Formula: - C60 H2 O - Comments: Shinobu Aoyagi; Norihisa Hoshino; Tomoyuki Akutagawa; Yuki Sado; Ryo Kitaura; Hisanori Shinohara; Kunihisa Sugimoto; Rui Zhang; Yasujiro Murata A cubic dipole lattice of water molecules trapped inside carbon cages Chem.Commun. 50 (2014) 524 Space group: P a -3 Cell volume: 2783.53 Cell parameters: 14.0669; 14.0669; 14.0669; 90; 90; 90;

COD ID: 7110223
CIF file	Formula: - C20 H22 O4 - Comments: Anne Miersch; Klaus Harms; Gerhard Hilt Zinc-mediated addition of diethyl bromomalonate to alkynes for the cascade reaction towards polysubstituted pyranones and tetracarbonyl derivatives Chem.Commun. 50 (2014) 542 Space group: P 21 21 21 Cell volume: 1717.09 Cell parameters: 8.0638; 12.312; 17.2952; 90; 90; 90;

COD ID: 7110224
CIF file	Formula: - C18 H20 O4 - Comments: Anne Miersch; Klaus Harms; Gerhard Hilt Zinc-mediated addition of diethyl bromomalonate to alkynes for the cascade reaction towards polysubstituted pyranones and tetracarbonyl derivatives Chem.Commun. 50 (2014) 542 Space group: P 1 21/c 1 Cell volume: 1593 Cell parameters: 10.724; 16.7441; 9.1552; 90; 104.301; 90;

COD ID: 7110225
CIF file	Formula: - C16 H16 O4 - Comments: Anne Miersch; Klaus Harms; Gerhard Hilt Zinc-mediated addition of diethyl bromomalonate to alkynes for the cascade reaction towards polysubstituted pyranones and tetracarbonyl derivatives Chem.Commun. 50 (2014) 542 Space group: P -1 Cell volume: 676.61 Cell parameters: 8.056; 9.6155; 9.8824; 95.471; 104.231; 111.323;

COD ID: 7110226
CIF file	Formula: - C54.5 H45.5 B Ir N5 O0.75 - Comments: Dongxin Ma; Lian Duan; Yongge Wei; Lei He; Liduo Wang; Yong Qiu Increased phosphorescent quantum yields of cationic iridium(III) complexes by wisely controlling the counter anions Chem.Commun. 50 (2014) 530 Space group: P 1 21/n 1 Cell volume: 4448.2 Cell parameters: 9.5427; 13.247; 35.237; 90; 93.01; 90;

COD ID: 7110227
CIF file	Formula: - C60 H42 B F12 Ir N6 - Comments: Dongxin Ma; Lian Duan; Yongge Wei; Lei He; Liduo Wang; Yong Qiu Increased phosphorescent quantum yields of cationic iridium(III) complexes by wisely controlling the counter anions Chem.Commun. 50 (2014) 530 Space group: P -1 Cell volume: 2652.8 Cell parameters: 12.88; 13.731; 17.199; 77.2; 85.04; 63.44;

COD ID: 7110228
CIF file	Formula: - C34 H40 N4 O2 - Comments: Wan Yue; Tao He; Matthias Stolte; Marcel Gsanger; Frank Wurthner Cyanated isoindigos for n-type and ambipolar organic thin film transistors Chem.Commun. 50 (2014) 545 Space group: P -1 Cell volume: 728.63 Cell parameters: 5.2943; 9.7777; 14.786; 107.491; 90.824; 93.038;

COD ID: 7110229

CIF file

Formula: - C159 H255 Cu6 N3 O63 S36 -
Comments: Yabo Xie; Hui Yang; Zhiyong U. Wang; Yangyang Liu; Hong-Cai Zhou; Jian-Rong Li Unusual preservation of polyhedral molecular building units in a metal-organic framework with evident desymmetrization in ligand design Chem.Commun. 50 (2014) 563
Space group: P 4/m n c
Cell volume: 44137
Cell parameters: 30.988; 30.988; 45.964; 90; 90; 90;

COD ID: 7110230

CIF file

Formula: - C156 H168 Cu4 N16 O32 -
Comments: Yabo Xie; Hui Yang; Zhiyong U. Wang; Yangyang Liu; Hong-Cai Zhou; Jian-Rong Li Unusual preservation of polyhedral molecular building units in a metal-organic framework with evident desymmetrization in ligand design Chem.Commun. 50 (2014) 563
Space group: P -1
Cell volume: 4421.2
Cell parameters: 16.1715; 16.307; 17.978; 79.131; 71.732; 86.363;

COD ID: 7110231
CIF file	Formula: - C25 H34 N2 O4 S - Comments: Pierre-Loic Jacquemin; Koen Robeyns; Michel Devillers; Yann Garcia Reversible photochromism of an N-salicylidene aniline anion Chem.Commun. 50 (2014) 649 Space group: P 1 21 1 Cell volume: 1226.96 Cell parameters: 11.7222; 8.40571; 12.7175; 90; 101.724; 90;

COD ID: 7110232

CIF file

Formula: - C25 H24 F3 O4 P S -
Comments: Junzhu Lu; Jinxing Ye; Wei-Liang Duan Palladium-catalyzed asymmetric 1,6-addition of diarylphosphines to alpha,beta,gamma,delta-unsaturated sulfonic esters: controlling regioselectivity by rational selection of electron-withdrawing groups Chem.Commun. 50 (2014) 698
Space group: P 1 21 1
Cell volume: 1240.7
Cell parameters: 5.6851; 16.633; 13.304; 90; 99.518; 90;

COD ID: 7110233

CIF file

Formula: - C28 H14 N2 O14 Tb -
Comments: Yuanjing Cui; Wenfeng Zou; Ruijing Song; Jiancan Yu; Wenqian Zhang; Yu Yang; Guodong Qian A ratiometric and colorimetric luminescent thermometer over a wide temperature range based on a lanthanide coordination polymer Chem.Commun. 50 (2014) 719
Space group: C 1 2/c 1
Cell volume: 5811.9
Cell parameters: 28.287; 6.8971; 30.2116; 90; 99.585; 90;

COD ID: 7110234
CIF file	Formula: - C27 H20 Cl2 Hg N4 - Comments: Biswa Nath Ghosh; Sandip Bhowmik; Prasenjit Mal; Kari Rissanen A highly selective, Hg2+ triggered hydrogelation: modulation of morphology by chemical stimuli Chem.Commun. 50 (2014) 734 Space group: P -1 Cell volume: 1184.2 Cell parameters: 9.2217; 10.8168; 13.0876; 75.035; 69.904; 83.819;

COD ID: 7110235

CIF file

Formula: - C30 H44 Cl2 Fe N6 O10 -
Comments: Olga V. Makhlynets; Williamson N. Oloo; Yurii S. Moroz; Irina G. Belaya; Taryn D. Palluccio; Alexander S. Filatov; Peter Muller; Matthew A. Cranswick; Lawrence Que; Elena V. Rybak-Akimova H2O2 activation with biomimetic non-haem iron complexes and AcOH: connecting the g = 2.7 EPR signal with a visible chromophore Chem.Commun. 50 (2014) 645
Space group: P 21 21 21
Cell volume: 3573.2
Cell parameters: 14.9833; 15.0663; 15.8285; 90; 90; 90;

COD ID: 7110236

CIF file

Formula: - C26 H40 Cl2 Fe N6 O10 -
Comments: Olga V. Makhlynets; Williamson N. Oloo; Yurii S. Moroz; Irina G. Belaya; Taryn D. Palluccio; Alexander S. Filatov; Peter Muller; Matthew A. Cranswick; Lawrence Que; Elena V. Rybak-Akimova H2O2 activation with biomimetic non-haem iron complexes and AcOH: connecting the g = 2.7 EPR signal with a visible chromophore Chem.Commun. 50 (2014) 645
Space group: F d d 2
Cell volume: 6520.9
Cell parameters: 21.9192; 15.582; 19.0923; 90; 90; 90;

COD ID: 7110237

CIF file

Formula: - C140 H226 Cl12 Fe6 N28 O69.2 -
Comments: Olga V. Makhlynets; Williamson N. Oloo; Yurii S. Moroz; Irina G. Belaya; Taryn D. Palluccio; Alexander S. Filatov; Peter Muller; Matthew A. Cranswick; Lawrence Que; Elena V. Rybak-Akimova H2O2 activation with biomimetic non-haem iron complexes and AcOH: connecting the g = 2.7 EPR signal with a visible chromophore Chem.Commun. 50 (2014) 645
Space group: C 1 2/c 1
Cell volume: 18927
Cell parameters: 28.316; 27.21; 25.335; 90; 104.156; 90;

COD ID: 7110238

CIF file

Formula: - C56 H84 Cl4 Fe2 N10 O22 -
Comments: Olga V. Makhlynets; Williamson N. Oloo; Yurii S. Moroz; Irina G. Belaya; Taryn D. Palluccio; Alexander S. Filatov; Peter Muller; Matthew A. Cranswick; Lawrence Que; Elena V. Rybak-Akimova H2O2 activation with biomimetic non-haem iron complexes and AcOH: connecting the g = 2.7 EPR signal with a visible chromophore Chem.Commun. 50 (2014) 645
Space group: P 21 21 21
Cell volume: 6849
Cell parameters: 13.8725; 18.435; 26.781; 90; 90; 90;

COD ID: 7110239
CIF file	Formula: - C53 H41 B F24 Ir N3 - Comments: James E. Wheatley; C. Andre Ohlin; Adrian B. Chaplin Solvent promoted reversible cyclometalation in a tethered NHC iridium complex Chem.Commun. 50 (2014) 685 Space group: P -1 Cell volume: 2683.11 Cell parameters: 12.1985; 14.5752; 16.913; 102.455; 108.834; 99.854;

COD ID: 7110240
CIF file	Formula: - C67 H51 B F24 Ir N3 - Comments: James E. Wheatley; C. Andre Ohlin; Adrian B. Chaplin Solvent promoted reversible cyclometalation in a tethered NHC iridium complex Chem.Commun. 50 (2014) 685 Space group: P -1 Cell volume: 3161.4 Cell parameters: 12.84071; 13.68282; 19.1287; 73.1727; 79.4153; 85.7285;

COD ID: 7110241
CIF file	Formula: - C53 H41 B F24 N3 Rh - Comments: James E. Wheatley; C. Andre Ohlin; Adrian B. Chaplin Solvent promoted reversible cyclometalation in a tethered NHC iridium complex Chem.Commun. 50 (2014) 685 Space group: P -1 Cell volume: 2685.08 Cell parameters: 12.1608; 14.5984; 16.9119; 102.423; 108.559; 99.8392;

COD ID: 7110242
CIF file	Formula: - C21 H16 Br2 O3 - Comments: Peng Wang; Saihu Liao; Jian-Bo Zhu; Yong Tang Double gamma-alkylation of allylic phosphorus ylides: a unique access to oxa-bicyclic[3.3.0] diene skeletons Chem.Commun. 50 (2014) 808 Space group: P 1 21/n 1 Cell volume: 1867.1 Cell parameters: 7.8079; 14.4168; 16.8239; 90; 99.632; 90;

COD ID: 7110243
CIF file	Formula: - C39 H35 Br O4.5 P - Comments: Peng Wang; Saihu Liao; Jian-Bo Zhu; Yong Tang Double gamma-alkylation of allylic phosphorus ylides: a unique access to oxa-bicyclic[3.3.0] diene skeletons Chem.Commun. 50 (2014) 808 Space group: P 1 21/c 1 Cell volume: 3457.1 Cell parameters: 9.5869; 35.5331; 10.4715; 90; 104.27; 90;

COD ID: 7110244
CIF file	Formula: - C46 H46 Cl2 O7 Rh2 - Comments: Peng Wang; Saihu Liao; Jian-Bo Zhu; Yong Tang Double gamma-alkylation of allylic phosphorus ylides: a unique access to oxa-bicyclic[3.3.0] diene skeletons Chem.Commun. 50 (2014) 808 Space group: P 1 21/c 1 Cell volume: 4086.1 Cell parameters: 16.3366; 14.6059; 17.7679; 90; 105.468; 90;

COD ID: 7110245

CIF file

Formula: - C10.8 H25.2 Ga0.8 N1.8 O2.8 S6.5 Sn2.7 -
Comments: Xiaohui Han; Zhenqing Wang; Dan Liu; Jin Xu; Yongxin Liu; Cheng Wang Co-assembly of a three-dimensional open framework sulfide with a novel linkage between an oxygen-encapsulated T3 cluster and a supertetrahedral T2 cluster Chem.Commun. 50 (2014) 796
Space group: P -4 2 c
Cell volume: 5369.1
Cell parameters: 14.6663; 14.6663; 24.9609; 90; 90; 90;

COD ID: 7110246

CIF file

Formula: - C6 H N2 O S4 -
Comments: Joanne W. L. Wong; Aaron Mailman; Stephen M. Winter; Craig M. Robertson; Rebecca J. Holmberg; Muralee Murugesu; Paul A. Dubed; Richard T. Oakley Supramolecular architecture, crystal structure and transport properties of the prototypal oxobenzene-bridged bisdithiazolyl radical conductor Chem.Commun. 50 (2014) 785
Space group: F d d 2
Cell volume: 3485.1
Cell parameters: 27.876; 31.252; 4.0004; 90; 90; 90;

COD ID: 7110247
CIF file	Formula: - C26 H40 N6 Ni0.5 P2 - Comments: Sheri Lense; Arnab Dutta; John A. S. Roberts; Wendy J. Shaw A proton channel allows a hydrogen oxidation catalyst to operate at a moderate overpotential with water acting as a base Chem.Commun. 50 (2014) 792 Space group: P -1 Cell volume: 2719.7 Cell parameters: 10.8228; 11.4209; 24.907; 91.283; 93.181; 117.615;

COD ID: 7110248

CIF file

Formula: - C20 H94 N5 Nb5 O39.25 Te -
Comments: Jung-Ho Son; Jiarui Wang; Frank E. Osterloh; Ping Yu; William H. Casey A tellurium-substituted Lindqvist-type polyoxoniobate showing high H2 evolution catalyzed by tellurium nanowires via photodecomposition Chem.Commun. 50 (2014) 836
Space group: C 1 2/c 1
Cell volume: 5909.8
Cell parameters: 33.87; 8.4954; 21.9238; 90; 110.475; 90;

COD ID: 7110249

CIF file

Formula: - C92 H156 Mn25 N60 Na O54 -
Comments: Dimosthenis P. Giannopoulos; Annaliese Thuijs; Wolfgang Wernsdorfer; Melanie Pilkington; George Christou; Theocharis C. Stamatatos Supramolecular chains of high nuclearity {MnIII25} barrel-like single molecule magnets Chem.Commun. 50 (2014) 779
Space group: P -1
Cell volume: 3890.2
Cell parameters: 16.233; 16.707; 17.691; 63.27; 80.447; 65.254;

COD ID: 7110250
CIF file	Formula: - C34 H38 B N O - Comments: Dong-Mei Chen; Qian Qin; Zuo-Bang Sun; Qian Peng; Cui-Hua Zhao Synthesis and properties of B,N-bridged p-terphenyls Chem.Commun. 50 (2014) 782 Space group: P -1 Cell volume: 1424.1 Cell parameters: 9.963; 11.105; 13.816; 87.975; 76.8; 73.219;

COD ID: 7110251
CIF file	Formula: - C32 H36 Br4 O8 - Comments: Yang Gao; Wanqing Wu; Huawen Huang; Yubing Huang; Huanfeng Jiang Palladium-catalyzed intermolecular [3 + 2] carbocyclization of alkynols and propiolates: an efficient entry to halo-cyclopentadienes Chem.Commun. 50 (2014) 846 Space group: P 1 21/c 1 Cell volume: 875.75 Cell parameters: 5.8136; 20.7534; 7.4685; 90; 103.62; 90;

COD ID: 7110252
CIF file	Formula: - C15 H20 Br O4 - Comments: Yang Gao; Wanqing Wu; Huawen Huang; Yubing Huang; Huanfeng Jiang Palladium-catalyzed intermolecular [3 + 2] carbocyclization of alkynols and propiolates: an efficient entry to halo-cyclopentadienes Chem.Commun. 50 (2014) 846 Space group: P 1 21/n 1 Cell volume: 1464.42 Cell parameters: 5.7661; 11.1691; 22.752; 90; 91.966; 90;

COD ID: 7110253
CIF file	Formula: - C22 H26 B2 F8 O2 Pd3 - Comments: Tetsuro Murahashi; Seita Kimura; Kohei Takase; Tomohito Uemura; Sensuke Ogoshi; Koji Yamamoto Bis-cyclooctatetraene tripalladium sandwich complexes Chem.Commun. 50 (2014) 820 Space group: P 1 21/n 1 Cell volume: 2405.9 Cell parameters: 10.0392; 16.3516; 14.6824; 90; 93.4204; 90;

COD ID: 7110254
CIF file	Formula: - C81 H70 B2 Cl2 F8 P4 Pd2 - Comments: Tetsuro Murahashi; Seita Kimura; Kohei Takase; Tomohito Uemura; Sensuke Ogoshi; Koji Yamamoto Bis-cyclooctatetraene tripalladium sandwich complexes Chem.Commun. 50 (2014) 820 Space group: C 1 2/c 1 Cell volume: 7458.4 Cell parameters: 25.3856; 24.7751; 11.8833; 90; 93.678; 90;

COD ID: 7110255
CIF file	Formula: - C20 H29 Cl3 Ru2 - Comments: Basujit Chatterjee; Chidambaram Gunanathan Ruthenium catalyzed selective hydrosilylation of aldehydes Chem.Commun. 50 (2014) 888 Space group: P b c a Cell volume: 4187.6 Cell parameters: 13.664; 15.9211; 19.2494; 90; 90; 90;

COD ID: 7110256
CIF file	Formula: - C22 H46 Ru Si2 - Comments: Basujit Chatterjee; Chidambaram Gunanathan Ruthenium catalyzed selective hydrosilylation of aldehydes Chem.Commun. 50 (2014) 888 Space group: P 1 21/c 1 Cell volume: 2491.8 Cell parameters: 16.4631; 8.72; 17.7452; 90; 102.003; 90;

COD ID: 7110257
CIF file	Formula: - C54 H90 O2 - Comments: Jian-Rong Wang; Chun Zhou; Xueping Yu; Xuefeng Mei Stabilizing vitamin D3 by conformationally selective co-crystallization Chem.Commun. 50 (2014) 855 Space group: C 1 2 1 Cell volume: 4811.4 Cell parameters: 33.5853; 6.6602; 21.7816; 90; 99.059; 90;

COD ID: 7110258
CIF file	Formula: - C54 H92 O2 - Comments: Jian-Rong Wang; Chun Zhou; Xueping Yu; Xuefeng Mei Stabilizing vitamin D3 by conformationally selective co-crystallization Chem.Commun. 50 (2014) 855 Space group: C 1 2 1 Cell volume: 4891.7 Cell parameters: 33.2196; 6.8885; 21.612; 90; 98.464; 90;

COD ID: 4082235

CIF file

Formula: - C37 H35 N Si Ti -
Comments: Zhao, Jing; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng Reaction of Titanacyclobutene‒Silacyclobutene Fused-Ring Complexes with Nitriles via Formal Insertion of the C‒N Triple Bond of Nitrile into the Silacyclobutene Ring Organometallics 33(1) (2014) 8
Space group: P 1 21/n 1
Cell volume: 2974.35
Cell parameters: 10.2052; 17.3311; 17.0297; 90; 99.069; 90;

COD ID: 4082236

CIF file

Formula: - C35 H31 N Si Ti -
Comments: Zhao, Jing; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng Reaction of Titanacyclobutene‒Silacyclobutene Fused-Ring Complexes with Nitriles via Formal Insertion of the C‒N Triple Bond of Nitrile into the Silacyclobutene Ring Organometallics 33(1) (2014) 8
Space group: P 1 21/c 1
Cell volume: 2785.8
Cell parameters: 15.9762; 11.2754; 17.1936; 90; 115.916; 90;

COD ID: 4082237

CIF file

Formula: - C49 H43 N O Si Ti -
Comments: Zhao, Jing; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng Reaction of Titanacyclobutene‒Silacyclobutene Fused-Ring Complexes with Nitriles via Formal Insertion of the C‒N Triple Bond of Nitrile into the Silacyclobutene Ring Organometallics 33(1) (2014) 8
Space group: C 1 2/c 1
Cell volume: 7551.3
Cell parameters: 16.2653; 19.3916; 24.776; 90; 104.915; 90;

COD ID: 4082238

CIF file

Formula: - C61 H57 As2 Cl2 Cu2 Pd2 -
Comments: Meana, Isabel; Espinet, Pablo; Albéniz, Ana C. Heterometallic Complexes by Transmetalation of Alkynyl Groups from Copper or Silver to Allyl Palladium Complexes: Demetalation Studies and Alkynyl Homocoupling Organometallics 33(1) (2014) 1
Space group: P 1 21/c 1
Cell volume: 2911.5
Cell parameters: 12.041; 20.957; 11.964; 90; 105.338; 90;

COD ID: 4082239

CIF file

Formula: - C54 H48 Cl2 Cu2 P2 Pd2 -
Comments: Meana, Isabel; Espinet, Pablo; Albéniz, Ana C. Heterometallic Complexes by Transmetalation of Alkynyl Groups from Copper or Silver to Allyl Palladium Complexes: Demetalation Studies and Alkynyl Homocoupling Organometallics 33(1) (2014) 1
Space group: P b c a
Cell volume: 5180.91
Cell parameters: 20.1012; 11.2224; 22.9667; 90; 90; 90;

COD ID: 4082240

CIF file

Formula: - C58 H40 Cl2 Cu2 P2 Pd2 -
Comments: Meana, Isabel; Espinet, Pablo; Albéniz, Ana C. Heterometallic Complexes by Transmetalation of Alkynyl Groups from Copper or Silver to Allyl Palladium Complexes: Demetalation Studies and Alkynyl Homocoupling Organometallics 33(1) (2014) 1
Space group: P 1 21/n 1
Cell volume: 2584.45
Cell parameters: 10.7943; 17.6745; 13.7175; 90; 99.057; 90;

COD ID: 4082241

CIF file

Formula: - C54 H48 Ag Cl P2 Pd2 -
Comments: Meana, Isabel; Espinet, Pablo; Albéniz, Ana C. Heterometallic Complexes by Transmetalation of Alkynyl Groups from Copper or Silver to Allyl Palladium Complexes: Demetalation Studies and Alkynyl Homocoupling Organometallics 33(1) (2014) 1
Space group: P 1 21/n 1
Cell volume: 4994.9
Cell parameters: 11.1373; 18.8145; 24.316; 90; 101.392; 90;

COD ID: 7110259

CIF file

Formula: - C41.5 H34 Cl Fe3 O4 P2 S2 -
Comments: Shishir Ghosh; Graeme Hogarth; Nathan Hollingsworth; Katherine B. Holt; Shariff E. Kabir; Ben E. Sanchez Hydrogenase biomimetics: Fe2(CO)4(mu-dppf)(mu-pdt) (dppf = 1,1'-bis(diphenylphosphino)ferrocene) both a proton-reduction and hydrogen oxidation catalyst Chem.Commun. 50 (2014) 945
Space group: P -1
Cell volume: 1936.1
Cell parameters: 9.7365; 13.149; 16.654; 99.609; 94.376; 111.343;

COD ID: 7110260
CIF file	Formula: - C64 H72 F N10 Zn2 - Comments: S. Gondzik; S. Schulz; D. Blaser; C. Wolper; R. Haack; G. Jansena Reactions of a Zn(I) complex with group 14 azides ‒ formation of zinc azide and zinc hexazene complexes Chem.Commun. 50 (2014) 927 Space group: P 1 21/n 1 Cell volume: 3007.6 Cell parameters: 12.8569; 17.7885; 13.5948; 90; 104.691; 90;

COD ID: 7110261
CIF file	Formula: - C30 H24 N2 O2 - Comments: Erqing Li; You Huang Phosphine-catalyzed domino reaction: a novel sequential [2+3] and [3+2] annulation reaction of gamma-substituent allenoates to construct bicyclic[3, 3, 0]octene derivatives Chem.Commun. 50 (2014) 948 Space group: P 1 21/c 1 Cell volume: 2362 Cell parameters: 10.329; 10.683; 21.433; 90; 92.916; 90;

COD ID: 7110262
CIF file	Formula: - C54 H60 Ag2 F12 N18 O2 P2 - Comments: Hai-Xia Liu; Xin He; Liang Zhao Metallamacrocycle-modified gold nanoparticles: a new pathway for surface functionalization Chem.Commun. 50 (2014) 971 Space group: P 1 Cell volume: 1458.4 Cell parameters: 8.3519; 12.047; 15.107; 98.79; 98.78; 99.16;

COD ID: 7110263
CIF file	Formula: - C78 H73 Au2 F12 N26 O15 S4 - Comments: Hai-Xia Liu; Xin He; Liang Zhao Metallamacrocycle-modified gold nanoparticles: a new pathway for surface functionalization Chem.Commun. 50 (2014) 971 Space group: P 1 21/n 1 Cell volume: 8721.2 Cell parameters: 21.3858; 13.9075; 30.0241; 90; 102.41; 90;

COD ID: 7110264
CIF file	Formula: - C21 H18 Br N O4 - Comments: Jianfeng Zheng; Lili Lin; Yulong Kuang; Jiannan Zhao; Xiaohua Liu; Xiaoming Feng Magnesium(II)-catalyzed asymmetric hetero-Diels-Alder reaction of Brassard's dienes with isatins Chem.Commun. 50 (2014) 994 Space group: P 21 21 21 Cell volume: 1878.46 Cell parameters: 8.1267; 14.4806; 15.9625; 90; 90; 90;

COD ID: 7110265
CIF file	Formula: - C38 H48 I N3 Se - Comments: Guanghui Cheng; Jiangli Fan; Wen Sun; Jianfang Cao; Chong Hu; Xiaojun Peng A near-infrared fluorescent probe for selective detection of HClO based on Se-sensitized aggregation of heptamethine cyanine dye Chem.Commun. 50 (2014) 1018 Space group: P -1 Cell volume: 3520.5 Cell parameters: 12.533; 14.7221; 19.3984; 90.039; 100.391; 90.064;

COD ID: 7110266
CIF file	Formula: - C25 H25 N O3 - Comments: Changcheng Jing; Dong Xing; Wenhao Hu Highly diastereoselective synthesis of 3-hydroxy-2,2,3-trisubstituted indolines via intramolecular trapping of ammonium ylides with ketones Chem.Commun. 50 (2014) 951 Space group: P 1 21/c 1 Cell volume: 2049.76 Cell parameters: 10.0938; 19.9876; 11.2239; 90; 115.15; 90;

COD ID: 7110267
CIF file	Formula: - C24 H21 N O3 - Comments: Changcheng Jing; Dong Xing; Wenhao Hu Highly diastereoselective synthesis of 3-hydroxy-2,2,3-trisubstituted indolines via intramolecular trapping of ammonium ylides with ketones Chem.Commun. 50 (2014) 951 Space group: P b c a Cell volume: 3825.3 Cell parameters: 10.7586; 16.5601; 21.471; 90; 90; 90;

COD ID: 7110268
CIF file	Formula: - C42 H24 Cl2 F10 Fe N14 O4 S2 - Comments: Nassim Nassirini; Saeid Amani; Simon J. Teat; Olivier Roubeau; Patrick Gamez Enhancement of spin-crossover cooperativity mediated by lone pair-pi interactions and halogen bonding Chem.Commun. 50 (2014) 1003 Space group: P -1 Cell volume: 1179.4 Cell parameters: 9.084; 10.766; 12.658; 96.115; 103.282; 98.341;

COD ID: 7110269
CIF file	Formula: - C42 H24 Cl2 F10 Fe N14 O4 S2 - Comments: Nassim Nassirini; Saeid Amani; Simon J. Teat; Olivier Roubeau; Patrick Gamez Enhancement of spin-crossover cooperativity mediated by lone pair-pi interactions and halogen bonding Chem.Commun. 50 (2014) 1003 Space group: P -1 Cell volume: 1224.4 Cell parameters: 9.173; 11.167; 12.759; 94.784; 105.483; 100.902;

COD ID: 7110270
CIF file	Formula: - C48 H40 - Comments: Friederike Sibbel; Katsuma Matsui; Yasutomo Segawa; Armido Studer; Kenichiro Itami Selective synthesis of [7]- and [8]cycloparaphenylenes Chem.Commun. 50 (2014) 954 Space group: P n m a Cell volume: 3366 Cell parameters: 18.34; 22.335; 8.218; 90; 90; 90;

COD ID: 4082242
CIF file	Formula: - C30 H53 Ir O2 P2 - Comments: Phadke, Neha; Findlater, Michael Formation of Iridium(III) Allene Complexes via Isomerization of Internal Alkynes Organometallics 33(1) (2014) 16 Space group: P -1 Cell volume: 1563.33 Cell parameters: 8.0369; 10.6149; 19.4286; 92.411; 91.896; 109.056;

COD ID: 7110330

CIF file

Formula: - C32 H72 Mn4 N8 -
Comments: Shivaiah Vaddypally; Sandeep K. Kondaveeti; John H. Roudebush; Robert J. Cava; Michael J. Zdilla Formation of the tetranuclear, tetrakis-terminal-imido Mn4IV(NtBu)8 cubane cluster by four-electron reductive elimination of tBuN[double bond, length as m-dash]NtBu. The role of the s-block ion in stabilization of high-oxidation state intermediates Chem.Commun. 50 (2014) 1061
Space group: C m c 21
Cell volume: 4025.1
Cell parameters: 16.636; 12.5912; 19.216; 90; 90; 90;

COD ID: 7110331
CIF file	Formula: - C264 H384 Cl8 Er48 N48 O240 - Comments: Mingyan Wu; Feilong Jiang; Daqiang Yuan; Jiandong Pang; Jinjie Qian; Shaeel A. AL-Thabaiti; Maochun Hong Polymeric double-anion templated Er48 nanotubes Chem.Commun. 50 (2014) 1113 Space group: P -1 Cell volume: 10979 Cell parameters: 23.17; 24.088; 24.896; 68.75; 66.393; 62.015;

COD ID: 7110332
CIF file	Formula: - C38 H28 - Comments: Zujin Zhao; Bairong He; Han Nie; Bin Chen; Ping Lu; Anjun Qin; Ben Zhong Tang Stereoselective synthesis of folded luminogens with arene-arene stacking interactions and aggregation-enhanced emission Chem.Commun. 50 (2014) 1131 Space group: P 1 21/n 1 Cell volume: 5508.4 Cell parameters: 12.3653; 22.7961; 19.7772; 90; 98.854; 90;

COD ID: 7110333
CIF file	Formula: - C40 H32 - Comments: Zujin Zhao; Bairong He; Han Nie; Bin Chen; Ping Lu; Anjun Qin; Ben Zhong Tang Stereoselective synthesis of folded luminogens with arene-arene stacking interactions and aggregation-enhanced emission Chem.Commun. 50 (2014) 1131 Space group: P 1 21/c 1 Cell volume: 2937.2 Cell parameters: 9.63; 9.2473; 33.2387; 90; 97.115; 90;

COD ID: 7110334
CIF file	Formula: - C40 H32 O2 - Comments: Zujin Zhao; Bairong He; Han Nie; Bin Chen; Ping Lu; Anjun Qin; Ben Zhong Tang Stereoselective synthesis of folded luminogens with arene-arene stacking interactions and aggregation-enhanced emission Chem.Commun. 50 (2014) 1131 Space group: P 1 21/c 1 Cell volume: 2971.5 Cell parameters: 9.3819; 9.2364; 34.2924; 90; 90.577; 90;

COD ID: 7110335
CIF file	Formula: - C28 H24 - Comments: Zujin Zhao; Bairong He; Han Nie; Bin Chen; Ping Lu; Anjun Qin; Ben Zhong Tang Stereoselective synthesis of folded luminogens with arene-arene stacking interactions and aggregation-enhanced emission Chem.Commun. 50 (2014) 1131 Space group: P 1 21/c 1 Cell volume: 1032.99 Cell parameters: 7.376; 16.8413; 8.6153; 90; 105.155; 90;

COD ID: 7110336
CIF file	Formula: - C21 H12 N3 O10 S Zn - Comments: Padmini Ramaswamy; Ryotaro Matsuda; Wataru Kosaka; George Akiyama; Hyung Joon Jeon; Susumu Kitagawa Highly proton conductive nanoporous coordination polymers with sulfonic acid groups on the pore surface Chem.Commun. 50 (2014) 1144 Space group: P 1 21/c 1 Cell volume: 3142 Cell parameters: 9.642; 16.575; 19.66; 90; 90.784; 90;

COD ID: 7110337
CIF file	Formula: - C17 H11 N2 O9 S Zn - Comments: Padmini Ramaswamy; Ryotaro Matsuda; Wataru Kosaka; George Akiyama; Hyung Joon Jeon; Susumu Kitagawa Highly proton conductive nanoporous coordination polymers with sulfonic acid groups on the pore surface Chem.Commun. 50 (2014) 1144 Space group: P 1 21/c 1 Cell volume: 1813.3 Cell parameters: 13.818; 9.5436; 15.309; 90; 116.08; 90;

COD ID: 7110338

CIF file

Formula: - C10.25 H10 N1.25 O5.5 S0.75 Zn0.75 -
Comments: Padmini Ramaswamy; Ryotaro Matsuda; Wataru Kosaka; George Akiyama; Hyung Joon Jeon; Susumu Kitagawa Highly proton conductive nanoporous coordination polymers with sulfonic acid groups on the pore surface Chem.Commun. 50 (2014) 1144
Space group: P 1 21/c 1
Cell volume: 6708
Cell parameters: 17.614; 21.916; 18.046; 90; 105.64; 90;

COD ID: 7110339
CIF file	Formula: - C64 H146 O6 S Si14 - Comments: Wataru Setak; Soichiro Ohmizu; Mitsuo Kira Kinetic stabilization against the oxidation reaction induced by a silaalkane cage in a thiophene-bridged molecular gyroscope Chem.Commun. 50 (2014) 1098 Space group: R -3 c :H Cell volume: 13564 Cell parameters: 26.247; 26.247; 22.735; 90; 90; 120;

COD ID: 7110340
CIF file	Formula: - C64 H146 O8 S Si14 - Comments: Wataru Setak; Soichiro Ohmizu; Mitsuo Kira Kinetic stabilization against the oxidation reaction induced by a silaalkane cage in a thiophene-bridged molecular gyroscope Chem.Commun. 50 (2014) 1098 Space group: R -3 c :H Cell volume: 13621 Cell parameters: 26.249; 26.249; 22.827; 90; 90; 120;

COD ID: 7110341
CIF file	Formula: - C36 H25 Cu2 Fe3 N O9 P2 S - Comments: Chien-Nan Lin; Wei-Ting Jhu; Minghuey Shieh Vapochemically and mechanochemically reversible polymerization/depolymerization of S-Fe-Cu carbonyl clusters Chem.Commun. 50 (2014) 1134 Space group: P -1 Cell volume: 1983.86 Cell parameters: 11.4929; 12.3565; 15.8187; 67.924; 73.606; 77.975;

COD ID: 7110342
CIF file	Formula: - C35 H24 Cu2 Fe3 O9 P2 S - Comments: Chien-Nan Lin; Wei-Ting Jhu; Minghuey Shieh Vapochemically and mechanochemically reversible polymerization/depolymerization of S-Fe-Cu carbonyl clusters Chem.Commun. 50 (2014) 1134 Space group: P -1 Cell volume: 3686.74 Cell parameters: 13.1357; 13.7196; 20.6528; 97.81; 90.021; 91.115;

COD ID: 7110343
CIF file	Formula: - C78 H60 Cu4 Fe6 N4 O18 P4 S2 - Comments: Chien-Nan Lin; Wei-Ting Jhu; Minghuey Shieh Vapochemically and mechanochemically reversible polymerization/depolymerization of S-Fe-Cu carbonyl clusters Chem.Commun. 50 (2014) 1134 Space group: C 1 c 1 Cell volume: 8480.8 Cell parameters: 35.4086; 10.2025; 24.5709; 90; 107.17; 90;

COD ID: 7110344
CIF file	Formula: - C13 H8 B F2 N3 O - Comments: Hui Liu; Hua Lu; Jing Xu; Zhipeng Liu; Zhifang Li; John Mack; Zhen Shen Boron-pyridyl-imino-isoindoline dyes: facile synthesis and photophysical properties Chem.Commun. 50 (2014) 1074 Space group: P 1 21/c 1 Cell volume: 1176.4 Cell parameters: 7.1416; 8.4969; 19.655; 90; 99.473; 90;

COD ID: 7110345
CIF file	Formula: - C17 H10 B F2 N3 O - Comments: Hui Liu; Hua Lu; Jing Xu; Zhipeng Liu; Zhifang Li; John Mack; Zhen Shen Boron-pyridyl-imino-isoindoline dyes: facile synthesis and photophysical properties Chem.Commun. 50 (2014) 1074 Space group: P 1 21/c 1 Cell volume: 1411.3 Cell parameters: 8.575; 12.611; 13.588; 90; 106.164; 90;

COD ID: 7110346
CIF file	Formula: - C21.5 H13 B Cl F2 N3 O - Comments: Hui Liu; Hua Lu; Jing Xu; Zhipeng Liu; Zhifang Li; John Mack; Zhen Shen Boron-pyridyl-imino-isoindoline dyes: facile synthesis and photophysical properties Chem.Commun. 50 (2014) 1074 Space group: P 1 21/c 1 Cell volume: 3589.8 Cell parameters: 15.707; 15.0371; 16.4939; 90; 112.855; 90;

COD ID: 7110347
CIF file	Formula: - C28.5 H24 Co F4 P - Comments: Graham M. Lee; Daniel J. Harrison; Ilia Korobkov; R. Tom Baker Stepwise addition of difluorocarbene to a transition metal centre Chem.Commun. 50 (2014) 1128 Space group: P -1 Cell volume: 1188.35 Cell parameters: 8.9032; 9.6331; 15.0734; 98.01; 95.934; 109.836;

COD ID: 7110348
CIF file	Formula: - C26 H20 Co F6 P - Comments: Graham M. Lee; Daniel J. Harrison; Ilia Korobkov; R. Tom Baker Stepwise addition of difluorocarbene to a transition metal centre Chem.Commun. 50 (2014) 1128 Space group: P 1 21/c 1 Cell volume: 2278.6 Cell parameters: 11.9397; 10.3337; 18.4688; 90; 90.5376; 90;

COD ID: 7110349
CIF file	Formula: - C16 H26 Co F4 O3 P - Comments: Graham M. Lee; Daniel J. Harrison; Ilia Korobkov; R. Tom Baker Stepwise addition of difluorocarbene to a transition metal centre Chem.Commun. 50 (2014) 1128 Space group: P 1 21/c 1 Cell volume: 2008.63 Cell parameters: 13.0497; 16.2106; 9.5283; 90; 94.782; 90;

COD ID: 7110350
CIF file	Formula: - C72 H93 Cd2 N9 O21 - Comments: Stephanie A. Boer; Chris S. Hawes; David R. Turner Engineering entanglement: controlling the formation of polycatenanes and polyrotaxanes using ? interactions Chem.Commun. 50 (2014) 1125 Space group: P 1 Cell volume: 2014 Cell parameters: 10.239; 13.283; 15.851; 73.28; 79.44; 80.24;

COD ID: 7110351
CIF file	Formula: - C148 H176 Cd4 N20 O44 - Comments: Stephanie A. Boer; Chris S. Hawes; David R. Turner Engineering entanglement: controlling the formation of polycatenanes and polyrotaxanes using ? interactions Chem.Commun. 50 (2014) 1125 Space group: C 1 2 1 Cell volume: 16254 Cell parameters: 45.995; 15.366; 32.009; 90; 134.07; 90;

COD ID: 7110352
CIF file	Formula: - C81 H94 Cd2 N7 O23 - Comments: Stephanie A. Boer; Chris S. Hawes; David R. Turner Engineering entanglement: controlling the formation of polycatenanes and polyrotaxanes using pi interactions Chem.Commun. 50 (2014) 1125 Space group: P 61 2 2 Cell volume: 27122 Cell parameters: 19.928; 19.928; 78.862; 90; 90; 120;

COD ID: 4122731
CIF file	Formula: - C168 H144 Fe4 N48 O16 S4 - Comments: Bolliger, Jeanne L.; Ronson, Tanya K.; Ogawa, Masahiro; Nitschke, Jonathan R. Solvent Effects upon Guest Binding and Dynamics of a Fe(II)4L4 Cage. Journal of the American Chemical Society 136(41) (2014) 14545 Space group: I 2 3 Cell volume: 11774.9 Cell parameters: 22.7502; 22.7502; 22.7502; 90; 90; 90;

COD ID: 7111791
CIF file	Formula: - C18 H18 O4 - Comments: Xiaodong Hou; Zhihan Wang; Joseph Lee; Erin Wysocki; Casey Oian; Jennifer Schlak; Qianli R. Chu Synthesis of polymeric ladders by topochemical polymerization Chem.Commun. 50 (2014) 1218 Space group: P 1 21/c 1 Cell volume: 780.32 Cell parameters: 5.6003; 8.1769; 17.0907; 90; 94.409; 90;

COD ID: 7111792
CIF file	Formula: - C22 H26 O4 - Comments: Xiaodong Hou; Zhihan Wang; Joseph Lee; Erin Wysocki; Casey Oian; Jennifer Schlak; Qianli R. Chu Synthesis of polymeric ladders by topochemical polymerization Chem.Commun. 50 (2014) 1218 Space group: P -1 Cell volume: 493.73 Cell parameters: 5.4869; 8.0395; 12.2631; 71.633; 89.64; 74.81;

COD ID: 7111793
CIF file	Formula: - C68 H5 F12 O0.1 - Comments: James B. Whitaker; Igor V. Kuvychko; Natalia B. Shustova; Yu-Sheng Chen; Steven H. Strauss; Olga V. Boltalina An elusive fulvene 1,7,11,24-C60(CF3)4 and its unusual reactivity Chem.Commun. 50 (2014) 1205 Space group: C 1 2/c 1 Cell volume: 7430.3 Cell parameters: 39.5; 10.1407; 20.1901; 90; 113.254; 90;

COD ID: 7111794
CIF file	Formula: - C13 H7 F5 N2 O3 - Comments: Ritesh Dubey; Gautam R. Desiraju Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal Chem.Commun. 50 (2014) 1181 Space group: P 1 21/c 1 Cell volume: 1258.5 Cell parameters: 10.421; 10.421; 12.704; 90; 114.19; 90;

COD ID: 7111795
CIF file	Formula: - C13 H7 F4 N2 O3 - Comments: Ritesh Dubey; Gautam R. Desiraju Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal Chem.Commun. 50 (2014) 1181 Space group: P 1 21/c 1 Cell volume: 1233.98 Cell parameters: 10.1699; 10.3825; 12.3583; 90; 108.977; 90;

COD ID: 7111796
CIF file	Formula: - C13 H9 F3 N2 O3 - Comments: Ritesh Dubey; Gautam R. Desiraju Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal Chem.Commun. 50 (2014) 1181 Space group: P 1 21/c 1 Cell volume: 1231.1 Cell parameters: 10.1728; 10.4501; 12.2561; 90; 109.116; 90;

COD ID: 7111797
CIF file	Formula: - C13 H9 F3 N2 O3 - Comments: Ritesh Dubey; Gautam R. Desiraju Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal Chem.Commun. 50 (2014) 1181 Space group: P 1 21/c 1 Cell volume: 1238.93 Cell parameters: 10.4383; 10.2939; 12.3077; 90; 110.475; 90;

COD ID: 7111798
CIF file	Formula: - C13 H9 F3 N2 O3 - Comments: Ritesh Dubey; Gautam R. Desiraju Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal Chem.Commun. 50 (2014) 1181 Space group: P -1 Cell volume: 621.3 Cell parameters: 7.2331; 7.7199; 12.597; 73.687; 84.34; 66.993;

COD ID: 7111799
CIF file	Formula: - C26 H18 F6 N4 O6 - Comments: Ritesh Dubey; Gautam R. Desiraju Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal Chem.Commun. 50 (2014) 1181 Space group: P -1 Cell volume: 611.25 Cell parameters: 3.8198; 7.5011; 21.814; 98.435; 93.169; 97.474;

COD ID: 7111800
CIF file	Formula: - C13 H9 F2 N2 O3 - Comments: Ritesh Dubey; Gautam R. Desiraju Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal Chem.Commun. 50 (2014) 1181 Space group: P -1 Cell volume: 602.33 Cell parameters: 7.0231; 7.4789; 12.6456; 74.419; 87.775; 70.545;

COD ID: 7111801
CIF file	Formula: - C13 H8 F2 N2 O3 - Comments: Ritesh Dubey; Gautam R. Desiraju Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal Chem.Commun. 50 (2014) 1181 Space group: P -1 Cell volume: 1255.68 Cell parameters: 8.3252; 12.1896; 13.477; 107.408; 102.834; 94.816;

COD ID: 7111802
CIF file	Formula: - C13 H10 F2 N2 O3 - Comments: Ritesh Dubey; Gautam R. Desiraju Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal Chem.Commun. 50 (2014) 1181 Space group: P -1 Cell volume: 619.06 Cell parameters: 7.2755; 7.6883; 12.595; 73.583; 84.326; 66.372;

COD ID: 7111803
CIF file	Formula: - C13 H9 F3 N2 O3 - Comments: Ritesh Dubey; Gautam R. Desiraju Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal Chem.Commun. 50 (2014) 1181 Space group: P -1 Cell volume: 616.9 Cell parameters: 6.8789; 7.2488; 13.638; 89.962; 81.279; 66.888;

COD ID: 7111804
CIF file	Formula: - C13 H9 F3 N2 O3 - Comments: Ritesh Dubey; Gautam R. Desiraju Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal Chem.Commun. 50 (2014) 1181 Space group: P -1 Cell volume: 1228.1 Cell parameters: 7.7191; 10.869; 15.312; 73.545; 86.948; 85.853;

COD ID: 7111805
CIF file	Formula: - C13 H9 F2 N2 O3 - Comments: Ritesh Dubey; Gautam R. Desiraju Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal Chem.Commun. 50 (2014) 1181 Space group: C 1 2/c 1 Cell volume: 2439.9 Cell parameters: 22.92; 5.2259; 20.566; 90; 97.914; 90;

COD ID: 7111806
CIF file	Formula: - C13 H12 F2 N2 O4 - Comments: Ritesh Dubey; Gautam R. Desiraju Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal Chem.Commun. 50 (2014) 1181 Space group: P 1 c 1 Cell volume: 636.49 Cell parameters: 3.7357; 15.625; 10.926; 90; 93.614; 90;

COD ID: 7111807
CIF file	Formula: - C13 H10 F2 N2 O3 - Comments: Ritesh Dubey; Gautam R. Desiraju Structural landscape of the 1 : 1 benzoic acid : isonicotinamide cocrystal Chem.Commun. 50 (2014) 1181 Space group: P -1 Cell volume: 620.1 Cell parameters: 6.57; 7.68; 13.084; 92.357; 90.759; 109.87;

COD ID: 7111808
CIF file	Formula: - C27 H39 N2 O9 S1.5 - Comments: Jennie A. Hickin; Afshan Ahmed; Katharina Fuck; Margaret Ashcroft; Keith Jones The synthesis and structure revision of NSC-134754 Chem.Commun. 50 (2014) 1238 Space group: C 1 2/c 1 Cell volume: 5580 Cell parameters: 31.44; 8.72; 22.886; 90; 117.22; 90;

COD ID: 7111809
CIF file	Formula: - C20 H22 Cl N2 O2 - Comments: Alex Lauber; Benjamin Zelenay; Jan Cvengros Asymmetric synthesis of N-stereogenic molecules: diastereoselective double aza-Michael reaction Chem.Commun. 50 (2014) 1195 Space group: P -1 Cell volume: 907.46 Cell parameters: 8.1957; 8.7315; 12.9688; 96.755; 99.39; 92.439;

COD ID: 7111810
CIF file	Formula: - C58 H68 N4 Se2 Zn2 - Comments: S. Gondzik; S. Schulz; D. Blaser; C. Wolper Reaction of L2Zn2 with Ph2E2 ‒ synthesis of LZnEPh and reactions with oxygen and H-acidic substrates Chem.Commun. 50 (2014) 1189 Space group: P 1 21/n 1 Cell volume: 2613.2 Cell parameters: 12.812; 15.463; 14.313; 90; 112.843; 90;

COD ID: 7111811
CIF file	Formula: - C50 H68 N4 O2 Zn2 - Comments: S. Gondzik; S. Schulz; D. Blaser; C. Wolper Reaction of L2Zn2 with Ph2E2 ‒ synthesis of LZnEPh and reactions with oxygen and H-acidic substrates Chem.Commun. 50 (2014) 1189 Space group: P -1 Cell volume: 1178.84 Cell parameters: 10.6645; 11.1272; 11.991; 72.859; 73.051; 61.825;

COD ID: 7111812
CIF file	Formula: - C70 H78 F2 N4 O4 Te2 Zn2 - Comments: S. Gondzik; S. Schulz; D. Blaser; C. Wolper Reaction of L2Zn2 with Ph2E2 ‒ synthesis of LZnEPh and reactions with oxygen and H-acidic substrates Chem.Commun. 50 (2014) 1189 Space group: P 1 21/c 1 Cell volume: 3273.04 Cell parameters: 12.3389; 15.5903; 17.848; 90; 107.579; 90;

COD ID: 7111813

CIF file

Formula: - C66 H58 Cl6 F18 N12 -
Comments: Joao M. M. Rodrigues; Andreia S. F. Farinha; Paulino V. Muteto; Sandra M. Woranovicz-Barreira; Filipe A. Almeida Paz; Maria G. P. M. S. Neves; Jose A. S. Cavaleiro; Augusto C. Tome; M. Teresa S. R. Gomes; Jonathan L. Sessler; Joao P. C. Tome New porphyrin derivatives for phosphate anion sensing in both organic and aqueous media Chem.Commun. 50 (2014) 1359
Space group: F d d d :2
Cell volume: 17342
Cell parameters: 14.6651; 25.318; 46.706; 90; 90; 90;

COD ID: 7111814
CIF file	Formula: - C216 H274 Cl8 N8 O45 - Comments: Mengfei Ni; Xiao-Yu Hu; Juli Jiang; Leyong Wang The self-complexation of mono-urea-functionalized pillar[5]arenes with abnormal urea behaviors Chem.Commun. 50 (2014) 1317 Space group: C 1 2/c 1 Cell volume: 10963.2 Cell parameters: 40.0942; 14.3501; 20.0274; 90; 107.931; 90;

COD ID: 7111815
CIF file	Formula: - C168 H214 N26 O20 - Comments: Vaclav Havel; Vladimir Sindelar; Marek Necas; Angel E. Kaifer Water-mediated inclusion of benzoates and tosylates inside the bambusuril macrocycle Chem.Commun. 50 (2014) 1372 Space group: P 1 21/n 1 Cell volume: 7839.1 Cell parameters: 17.727; 20.2092; 22.915; 90; 107.271; 90;

COD ID: 7111816
CIF file	Formula: - C170 H206 Cl30 N26 O19 S2 - Comments: Vaclav Havel; Vladimir Sindelar; Marek Necas; Angel E. Kaifer Water-mediated inclusion of benzoates and tosylates inside the bambusuril macrocycle Chem.Commun. 50 (2014) 1372 Space group: P 1 21/n 1 Cell volume: 10251.1 Cell parameters: 21.105; 19.2496; 25.274; 90; 93.277; 90;

COD ID: 7111817

CIF file

Formula: - C299 H277 B4 N17 O17 P8 Pt4 S4 -
Comments: Nikolaos Karakostas; Irene M. Mavridis; Kostas Seintis; Mihalis Fakis; Eftychia N. Koini; Ioannis D. Petsalakis; George Pistolis Highly efficient and unidirectional energy transfer within a tightly self-assembled host-guest multichromophoric array Chem.Commun. 50 (2014) 1362
Space group: P c c n
Cell volume: 33919
Cell parameters: 26.739; 47.581; 26.66; 90; 90; 90;

COD ID: 7111818
CIF file	Formula: - C41 H34 F6 Fe N9 O6.5 S2 - Comments: Jozsef S. Pap; Apparao Draksharapu; Michel Giorgi; Wesley R. Browne; Jozsef Kaizer; Gabor Speier Stabilisation of mu-peroxido-bridged Fe(III) intermediates with non-symmetric bidentate N-donor ligands Chem.Commun. 50 (2014) 1326 Space group: P n a 21 Cell volume: 8448.7 Cell parameters: 19.5327; 10.9126; 39.6368; 90; 90; 90;

COD ID: 7111819
CIF file	Formula: - C39 H24 F9 Fe1.5 N6 O12 S3 - Comments: Jozsef S. Pap; Apparao Draksharapu; Michel Giorgi; Wesley R. Browne; Jozsef Kaizer; Gabor Speier Stabilisation of mu-peroxido-bridged Fe(III) intermediates with non-symmetric bidentate N-donor ligands Chem.Commun. 50 (2014) 1326 Space group: C 1 2/c 1 Cell volume: 8758.3 Cell parameters: 33.061; 13.4974; 19.732; 90; 95.911; 90;

COD ID: 7111820
CIF file	Formula: - C90.21 H73.84 Cl4 Fe2 N15.97 O19.33 - Comments: Michael C. Young; Amber M. Johnson; Richard J. Hooley Self-promoted post-synthetic modification of metal-ligand M2L3 mesocates Chem.Commun. 50 (2014) 1378 Space group: P -1 Cell volume: 4288.8 Cell parameters: 10.9347; 19.6886; 22.396; 110.01; 96.481; 104.184;

COD ID: 7111821
CIF file	Formula: - C162 H132 Cl7 Fe4 N24 O34 - Comments: Michael C. Young; Amber M. Johnson; Richard J. Hooley Self-promoted post-synthetic modification of metal-ligand M2L3 mesocates Chem.Commun. 50 (2014) 1378 Space group: A b m 2 Cell volume: 35326 Cell parameters: 20.7761; 40.516; 41.967; 90; 90; 90;

COD ID: 7111822
CIF file	Formula: - C86 H110 Cl6 N8 O8 S - Comments: Krzysztof M. Bak; Michal J. Chmielewski Sulfate templated assembly of neutral receptors in aqueous DMSO ‒ orthogonal versus biplane structures Chem.Commun. 50 (2014) 1305 Space group: C 1 2/c 1 Cell volume: 16927.6 Cell parameters: 50.553; 12.8629; 28.1196; 90; 112.216; 90;

COD ID: 7111823
CIF file	Formula: - C80 H130 Cl4 N8 O8 S - Comments: Krzysztof M. Bak; Michal J. Chmielewski Sulfate templated assembly of neutral receptors in aqueous DMSO ‒ orthogonal versus biplane structures Chem.Commun. 50 (2014) 1305 Space group: C 1 2/c 1 Cell volume: 8424.5 Cell parameters: 26.289; 14.5923; 24.1216; 90; 114.437; 90;

COD ID: 7111824

CIF file

Formula: - C58 H82 I2 N4 O Pt -
Comments: Orestes Rivada-Wheelaghan; Manuel A. Ortuno; Sergio E. Garcia-Garrido; Josefina Diez; Pablo J. Alonso; Agusti Lledos; Salvador Conejero A stable, mononuclear, cationic Pt(III) complex stabilised by bulky N-heterocyclic carbenes Chem.Commun. 50 (2014) 1299
Space group: P 2 21 21
Cell volume: 2863.98
Cell parameters: 10.6105; 13.0106; 20.7461; 90; 90; 90;

COD ID: 7111825

CIF file

Formula: - C86 H84 B F24 I2 N4 Pt -
Comments: Orestes Rivada-Wheelaghan; Manuel A. Ortuno; Sergio E. Garcia-Garrido; Josefina Diez; Pablo J. Alonso; Agusti Lledos; Salvador Conejero A stable, mononuclear, cationic Pt(III) complex stabilised by bulky N-heterocyclic carbenes Chem.Commun. 50 (2014) 1299
Space group: P 1 2/n 1
Cell volume: 8842.42
Cell parameters: 19.6292; 21.8184; 20.7055; 90; 94.328; 90;

COD ID: 7111826
CIF file	Formula: - C26 B F19 - Comments: Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene Chem.Commun. 50 (2014) 1295 Space group: P 1 21/c 1 Cell volume: 2299.24 Cell parameters: 11.04; 8.872; 23.965; 90; 101.614; 90;

COD ID: 7111827
CIF file	Formula: - C22 H12 F8 Zr - Comments: Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene Chem.Commun. 50 (2014) 1295 Space group: P b c a Cell volume: 3798.93 Cell parameters: 13.7831; 13.7152; 20.0961; 90; 90; 90;

COD ID: 7111828
CIF file	Formula: - C30 H10 F14 Zr - Comments: Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene Chem.Commun. 50 (2014) 1295 Space group: P 1 21/n 1 Cell volume: 2536.53 Cell parameters: 8.4551; 16.9172; 17.7991; 90; 94.924; 90;

COD ID: 7111829
CIF file	Formula: - C22 H6 F14 Sn - Comments: Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene Chem.Commun. 50 (2014) 1295 Space group: P 1 21 1 Cell volume: 1068.9 Cell parameters: 7.8081; 14.4792; 9.4551; 90; 90.521; 90;

COD ID: 7111830
CIF file	Formula: - C20 B Br F14 - Comments: Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene Chem.Commun. 50 (2014) 1295 Space group: P -1 Cell volume: 940.71 Cell parameters: 9.0742; 10.2272; 10.9121; 71.095; 79.247; 84.755;

COD ID: 7111831
CIF file	Formula: - C26 H B Cl F19 - Comments: Adrian Y. Houghton; Virve A. Karttunen; Warren E. Piers; Heikki M. Tuononen Hydrogen activation with perfluorinated organoboranes: 1,2,3-tris(pentafluorophenyl)-4,5,6,7-tetrafluoro-1-boraindene Chem.Commun. 50 (2014) 1295 Space group: P 1 21/c 1 Cell volume: 2478.04 Cell parameters: 11.2301; 17.6492; 15.5641; 90; 126.554; 90;

COD ID: 7111832
CIF file	Formula: - C18 H22 N4 O2 - Comments: Xiaomei Huang; Shuguang Xu; Qitao Tan; Mingchun Gao; Minjie Li; Bin Xu A copper-mediated tandem reaction through isocyanide insertion into N-H bonds: efficient access to unsymmetrical tetrasubstituted ureas Chem.Commun. 50 (2014) 1465 Space group: P 1 21/n 1 Cell volume: 1795.7 Cell parameters: 10.4376; 8.2222; 20.993; 90; 94.658; 90;

COD ID: 7111833
CIF file	Formula: - C21 H18 Cl2 N4 O2 - Comments: Xiaomei Huang; Shuguang Xu; Qitao Tan; Mingchun Gao; Minjie Li; Bin Xu A copper-mediated tandem reaction through isocyanide insertion into N-H bonds: efficient access to unsymmetrical tetrasubstituted ureas Chem.Commun. 50 (2014) 1465 Space group: P 1 21/c 1 Cell volume: 2049.5 Cell parameters: 15.245; 8.417; 16.508; 90; 104.637; 90;

COD ID: 7111834
CIF file	Formula: - C19 H22 N4 O2 - Comments: Xiaomei Huang; Shuguang Xu; Qitao Tan; Mingchun Gao; Minjie Li; Bin Xu A copper-mediated tandem reaction through isocyanide insertion into N-H bonds: efficient access to unsymmetrical tetrasubstituted ureas Chem.Commun. 50 (2014) 1465 Space group: P 1 21/n 1 Cell volume: 1968 Cell parameters: 10.47; 13.29; 14.71; 90; 105.91; 90;

COD ID: 7111835
CIF file	Formula: - C24.5 H20 Cu I N4.5 O1.25 - Comments: Yang Yu; Xiao-Meng Zhang; Jian-Ping Ma; Qi-Kui Liu; Peng Wang; Yu-Bin Dong Cu(I)-MOF: naked-eye colorimetric sensor for humidity and formaldehyde in single-crystal-to-single-crystal fashion Chem.Commun. 50 (2014) 1444 Space group: C 1 2/c 1 Cell volume: 4755.6 Cell parameters: 26.268; 10.6462; 18.295; 90; 111.641; 90;

COD ID: 7111836
CIF file	Formula: - C46 H40 Cu2 I2 N8 O4 - Comments: Yang Yu; Xiao-Meng Zhang; Jian-Ping Ma; Qi-Kui Liu; Peng Wang; Yu-Bin Dong Cu(I)-MOF: naked-eye colorimetric sensor for humidity and formaldehyde in single-crystal-to-single-crystal fashion Chem.Commun. 50 (2014) 1444 Space group: C 1 2/c 1 Cell volume: 4762 Cell parameters: 26.195; 10.604; 18.493; 90; 112.035; 90;

COD ID: 7111837
CIF file	Formula: - C48 H38 Cu2 I2 N8 O3 - Comments: Yang Yu; Xiao-Meng Zhang; Jian-Ping Ma; Qi-Kui Liu; Peng Wang; Yu-Bin Dong Cu(I)-MOF: naked-eye colorimetric sensor for humidity and formaldehyde in single-crystal-to-single-crystal fashion Chem.Commun. 50 (2014) 1444 Space group: C 1 2/c 1 Cell volume: 4774 Cell parameters: 26.407; 10.549; 18.435; 90; 111.635; 90;

COD ID: 7111838
CIF file	Formula: - C19 H31 F6 Fe N5 O8 S2 - Comments: Mainak Mitra; Julio Lloret-Fillol; Matti Haukka; Miquel Costas; Ebbe Nordlander Evidence that steric factors modulate reactivity of tautomeric iron-oxo species in stereospecific alkane C-H hydroxylation Chem.Commun. 50 (2014) 1408 Space group: P b c a Cell volume: 5711.7 Cell parameters: 16.1902; 15.4925; 22.7717; 90; 90; 90;

COD ID: 7111839
CIF file	Formula: - C19 H27 F6 Fe N5 O6 S2 - Comments: Mainak Mitra; Julio Lloret-Fillol; Matti Haukka; Miquel Costas; Ebbe Nordlander Evidence that steric factors modulate reactivity of tautomeric iron-oxo species in stereospecific alkane C-H hydroxylation Chem.Commun. 50 (2014) 1408 Space group: P 21 21 21 Cell volume: 2683 Cell parameters: 9.7786; 15.903; 17.253; 90; 90; 90;

COD ID: 7111840
CIF file	Formula: - C42 H18 Cd2 N14 O2 - Comments: Xuan Zhang; Zhongyue Zhang; Hanhua Zhao; Jiang-Gao Mao; Kim R. Dunbar A cadmium TCNQ-based semiconductor with versatile binding modes and non-integer redox states Chem.Commun. 50 (2014) 1429 Space group: P 1 21/c 1 Cell volume: 3753.1 Cell parameters: 19.061; 12.717; 15.548; 90; 95.24; 90;

COD ID: 7111841
CIF file	Formula: - C42 H48 Cd N10 O8 - Comments: Gareth O. Lloyd; Jonathan W. Steed Supramolecular assembly in a Janus-type urea system Chem.Commun. 50 (2014) 1426 Space group: P 1 21 1 Cell volume: 2362 Cell parameters: 12.329; 12.877; 14.883; 90; 91.625; 90;

COD ID: 7111842
CIF file	Formula: - C144 H186 Cu6 N30 O36 - Comments: Gareth O. Lloyd; Jonathan W. Steed Supramolecular assembly in a Janus-type urea system Chem.Commun. 50 (2014) 1426 Space group: R -3 :H Cell volume: 11910.8 Cell parameters: 31.7325; 31.7325; 13.6585; 90; 90; 120;

COD ID: 7111843
CIF file	Formula: - C20 H21 N5 O2 - Comments: Gareth O. Lloyd; Jonathan W. Steed Supramolecular assembly in a Janus-type urea system Chem.Commun. 50 (2014) 1426 Space group: P -1 Cell volume: 895.95 Cell parameters: 5.8615; 11.0671; 14.0882; 91.125; 98.705; 97.008;

COD ID: 7111844
CIF file	Formula: - C20 H21 N5 O2 - Comments: Gareth O. Lloyd; Jonathan W. Steed Supramolecular assembly in a Janus-type urea system Chem.Commun. 50 (2014) 1426 Space group: P -1 Cell volume: 883.8 Cell parameters: 4.594; 7.122; 28.06; 93.46; 92.554; 104.922;

COD ID: 7111845
CIF file	Formula: - C159 H291 Co3 Dy10 N3 O72 P6 - Comments: Karzan H. Zangana; Eufemio Moreno Pineda; Eric J. L. McInnes; Jurgen Schnack; Richard E. P. Winpenny Centred nine-metal rings of lanthanides Chem.Commun. 50 (2014) 1438 Space group: P -1 Cell volume: 11825.6 Cell parameters: 20.7198; 23.4541; 26.0799; 105.194; 93.035; 103.129;

COD ID: 7111846
CIF file	Formula: - C37 H46 B2 Cl N2 O P2 Rh - Comments: Jonathan A. Bailey; Mairi F. Haddow; Paul G. Pringle A simple route to azaborinylphosphines: isoelectronic B-N analogues of arylphosphine ligands Chem.Commun. 50 (2014) 1432 Space group: P 1 21/c 1 Cell volume: 1781.78 Cell parameters: 9.6666; 23.4121; 8.0696; 90; 102.673; 90;

COD ID: 7111847
CIF file	Formula: - C41 H46 B2 Cl N2 O P2 Rh - Comments: Jonathan A. Bailey; Mairi F. Haddow; Paul G. Pringle A simple route to azaborinylphosphines: isoelectronic B-N analogues of arylphosphine ligands Chem.Commun. 50 (2014) 1432 Space group: P 1 21/n 1 Cell volume: 3630 Cell parameters: 11.4921; 24.764; 12.7559; 90; 90.621; 90;

COD ID: 7111848
CIF file	Formula: - C41 H46 Cl O P2 Rh - Comments: Jonathan A. Bailey; Mairi F. Haddow; Paul G. Pringle A simple route to azaborinylphosphines: isoelectronic B-N analogues of arylphosphine ligands Chem.Commun. 50 (2014) 1432 Space group: P 1 21/c 1 Cell volume: 1758.47 Cell parameters: 9.73; 23.1553; 8.03; 90; 103.596; 90;

COD ID: 7111849
CIF file	Formula: - C47 H50 Cl5 O P2 Rh - Comments: Jonathan A. Bailey; Mairi F. Haddow; Paul G. Pringle A simple route to azaborinylphosphines: isoelectronic B-N analogues of arylphosphine ligands Chem.Commun. 50 (2014) 1432 Space group: P -1 Cell volume: 1048.11 Cell parameters: 8.5503; 11.5693; 11.8543; 69.3; 84.914; 72.868;

COD ID: 7111850
CIF file	Formula: - C20 H23 P - Comments: Jonathan A. Bailey; Mairi F. Haddow; Paul G. Pringle A simple route to azaborinylphosphines: isoelectronic B-N analogues of arylphosphine ligands Chem.Commun. 50 (2014) 1432 Space group: P b c a Cell volume: 3304.4 Cell parameters: 7.1656; 17.6207; 26.1711; 90; 90; 90;

COD ID: 7111851
CIF file	Formula: - C22 H23 O0.55 P - Comments: Jonathan A. Bailey; Mairi F. Haddow; Paul G. Pringle A simple route to azaborinylphosphines: isoelectronic B-N analogues of arylphosphine ligands Chem.Commun. 50 (2014) 1432 Space group: C 1 2/c 1 Cell volume: 3324.1 Cell parameters: 21.2169; 7.8833; 20.2375; 90; 100.874; 90;

COD ID: 7111852
CIF file	Formula: - C11 H23 P Si - Comments: Jonathan A. Bailey; Mairi F. Haddow; Paul G. Pringle A simple route to azaborinylphosphines: isoelectronic B-N analogues of arylphosphine ligands Chem.Commun. 50 (2014) 1432 Space group: P 1 21/c 1 Cell volume: 1212.8 Cell parameters: 6.581; 9.426; 19.551; 90; 90.105; 90;

COD ID: 7111853

CIF file

Formula: - C38 H28 Fe N14 Se2 -
Comments: Ross W. Hogue; Reece G. Miller; Nicholas G. White; Humphrey L. C. Feltham; Guy N. L. Jameson; Sally Brooker Hysteretic spin crossover in iron(II) complexes of a new pyridine-triazole-pyrazine ligand is tuned by choice of NCE co-ligand Chem.Commun. 50 (2014) 1435
Space group: P -1
Cell volume: 889.78
Cell parameters: 8.8651; 9.19185; 11.5192; 76.653; 77.0659; 85.5043;

COD ID: 7111854

CIF file

Formula: - C38 H28 Fe N14 Se2 -
Comments: Ross W. Hogue; Reece G. Miller; Nicholas G. White; Humphrey L. C. Feltham; Guy N. L. Jameson; Sally Brooker Hysteretic spin crossover in iron(II) complexes of a new pyridine-triazole-pyrazine ligand is tuned by choice of NCE co-ligand Chem.Commun. 50 (2014) 1435
Space group: P -1
Cell volume: 910.56
Cell parameters: 8.976; 9.2721; 11.5674; 76.218; 77.043; 84.919;

COD ID: 7111855

CIF file

Formula: - C18 H14 N6 -
Comments: Ross W. Hogue; Reece G. Miller; Nicholas G. White; Humphrey L. C. Feltham; Guy N. L. Jameson; Sally Brooker Hysteretic spin crossover in iron(II) complexes of a new pyridine-triazole-pyrazine ligand is tuned by choice of NCE co-ligand Chem.Commun. 50 (2014) 1435
Space group: P 1 21/n 1
Cell volume: 1500.4
Cell parameters: 12.2509; 6.8857; 17.815; 90; 93.229; 90;

COD ID: 7111856
CIF file	Formula: - C13 H16 N2 O3 - Comments: Raymond C. F. Jones; James P. Bullous; Carole C. M. Law; Mark R. J. Elsegood New routes towards reutericyclin analogues Chem.Commun. 50 (2014) 1588 Space group: P 21 21 21 Cell volume: 1274.9 Cell parameters: 6.9698; 9.5108; 19.233; 90; 90; 90;

COD ID: 7111857
CIF file	Formula: - C96 H233 N44 O78.5 Pd6 - Comments: Dipak Samanta; Partha Sarathi Mukherjee Self-assembled multicomponent Pd6 aggregates showing low-humidity proton conduction Chem.Commun. 50 (2014) 1595 Space group: P -1 Cell volume: 7764.8 Cell parameters: 17.4691; 21.082; 21.428; 95.022; 91.544; 98.679;

COD ID: 7111858
CIF file	Formula: - C104 H230 N44 O77 Pd6 - Comments: Dipak Samanta; Partha Sarathi Mukherjee Self-assembled multicomponent Pd6 aggregates showing low-humidity proton conduction Chem.Commun. 50 (2014) 1595 Space group: C 1 2/c 1 Cell volume: 16129.9 Cell parameters: 50.0277; 11.5534; 35.1453; 90; 127.435; 90;

COD ID: 7111859
CIF file	Formula: - C27 H34 N2 O5 - Comments: Ruizhi Lu; Xin Cheng; Xingliang Zheng; Shengming Ma Efficient synthesis of 1,2-bis(alkoxycarbonyl)pyrazol-3-ones from 2,3-allenoic acids, azodicarboxylates and PPh3 Chem.Commun. 50 (2014) 1537 Space group: P 1 21/n 1 Cell volume: 2620 Cell parameters: 14.4117; 11.1267; 16.373; 90; 93.689; 90;

COD ID: 7111860
CIF file	Formula: - C26 H24 Cl2 O5 - Comments: Jian-Yi Luo; Hui-Liang Hua; Zi-Sheng Chen; Zhao-Zhao Zhou; Yan-Fang Yang; Ping-Xin Zhou; Yu-Tao He; Xue-Yuan Liu; Yong-Min Liang Metal-free cascade radical cyclization of 1,6-enynes with aldehydes Chem.Commun. 50 (2014) 1564 Space group: P 1 21/c 1 Cell volume: 2381.24 Cell parameters: 7.9958; 15.4197; 19.3202; 90; 91.49; 90;

COD ID: 7111861
CIF file	Formula: - C11 H10 F3 N O - Comments: Jian-Yi Luo; Hui-Liang Hua; Zi-Sheng Chen; Zhao-Zhao Zhou; Yan-Fang Yang; Ping-Xin Zhou; Yu-Tao He; Xue-Yuan Liu; Yong-Min Liang Metal-free cascade radical cyclization of 1,6-enynes with aldehydes Chem.Commun. 50 (2014) 1564 Space group: P 1 21/a 1 Cell volume: 2137.3 Cell parameters: 8.6562; 19.9373; 12.6769; 90; 102.331; 90;

COD ID: 7111862
CIF file	Formula: - C25 H27 N O4 - Comments: Soundararasu Senthilkumar; Sure Siva Prasad; Ponminor Senthil Kumar; Sundarababu Baskaran A diversity oriented one-pot synthesis of novel iminosugar C-glycosides Chem.Commun. 50 (2014) 1549 Space group: C 1 2 1 Cell volume: 4656.4 Cell parameters: 27.119; 10.6814; 21.58; 90; 131.85; 90;

COD ID: 7111863
CIF file	Formula: - C18 H22 N2 O3 - Comments: Soundararasu Senthilkumar; Sure Siva Prasad; Ponminor Senthil Kumar; Sundarababu Baskaran A diversity oriented one-pot synthesis of novel iminosugar C-glycosides Chem.Commun. 50 (2014) 1549 Space group: P 1 21 1 Cell volume: 795.51 Cell parameters: 6.1766; 9.188; 14.0208; 90; 91.209; 90;

COD ID: 7111864
CIF file	Formula: - C63 H75 N3 O15 - Comments: Soundararasu Senthilkumar; Sure Siva Prasad; Ponminor Senthil Kumar; Sundarababu Baskaran A diversity oriented one-pot synthesis of novel iminosugar C-glycosides Chem.Commun. 50 (2014) 1549 Space group: P 1 Cell volume: 1468.14 Cell parameters: 10.1384; 10.2329; 14.4261; 87.321; 89.563; 79.123;

COD ID: 7111865
CIF file	Formula: - C40 H78 Er Li O6 Si4 - Comments: Jennifer J. Le Roy; Ilia Korobkov; Muralee Murugesu A sandwich complex with axial symmetry for harnessing the anisotropy in a prolate erbium(III) ion Chem.Commun. 50 (2014) 1602 Space group: P -1 Cell volume: 2477.3 Cell parameters: 11.4921; 12.3172; 18.5804; 99.322; 102.182; 100;

COD ID: 7111866
CIF file	Formula: - C45 H28 S2 - Comments: Jun Yun Kim; Takuma Yasuda; Yu Seok Yang; Naoki Matsumoto; Chihaya Adachi Polymorphism in 9,9-diarylfluorene-based organic semiconductors: influence on optoelectronic functions Chem.Commun. 50 (2014) 1523 Space group: P 1 21/n 1 Cell volume: 3210.88 Cell parameters: 16.096; 9.0213; 22.1626; 90; 93.855; 90;

COD ID: 7111867

CIF file

Formula: - C29 H49.5 Eu F9 N8.5 O13 S3 -
Comments: Desigan Sannasy; Helder M. Marques; Manuel A. Fernandes; Alvaro S. de Sousa Outer-sphere anion recognition by a cyclen-based octadentate europium(III) complex: pH dependent recognition of ortho-phthalic acid Chem.Commun. 50 (2014) 1582
Space group: P -1
Cell volume: 2202.71
Cell parameters: 11.8523; 13.4938; 15.4748; 70.58; 70.779; 81.957;

COD ID: 7111868

CIF file

Formula: - C23 H45.56 N7 O4.28 -
Comments: Desigan Sannasy; Helder M. Marques; Manuel A. Fernandes; Alvaro S. de Sousa Outer-sphere anion recognition by a cyclen-based octadentate europium(III) complex: pH dependent recognition of ortho-phthalic acid Chem.Commun. 50 (2014) 1582
Space group: P 1 21/c 1
Cell volume: 2646.02
Cell parameters: 9.6189; 32.1984; 8.6632; 90; 99.538; 90;

COD ID: 7111869
CIF file	Formula: - C70 H64 Cl2 O - Comments: Colm Delaney; Sarath D. Perera; Gearoid M. O. Maille; Sylvia M. Draper Intriguing Diels-Alder products: chiral centres with an added twist Chem.Commun. 50 (2014) 1599 Space group: P 1 21/c 1 Cell volume: 5551.3 Cell parameters: 14.7164; 17.2279; 22.4826; 90; 103.12; 90;

COD ID: 7111870
CIF file	Formula: - C53 H32 O - Comments: Colm Delaney; Sarath D. Perera; Gearoid M. O. Maille; Sylvia M. Draper Intriguing Diels-Alder products: chiral centres with an added twist Chem.Commun. 50 (2014) 1599 Space group: P -1 Cell volume: 3506.8 Cell parameters: 11.797; 17.099; 18.309; 72.282; 89.938; 85.625;

COD ID: 7111871
CIF file	Formula: - C30 H18 Cu2 O10 - Comments: Jianfeng Cai; Xingtang Rao; Yabing He; Jancan Yu; Chuande Wu; Wei Zhou; Taner Yildirim; Banglin Chen; Guodong Qian A highly porous NbO type metal-organic framework constructed from an expanded tetracarboxylate Chem.Commun. 50 (2014) 1552 Space group: R 3 m :H Cell volume: 21672 Cell parameters: 26.2119; 26.2119; 36.423; 90; 90; 120;

COD ID: 7111872
CIF file	Formula: - C65 H69 N3 O13 S - Comments: Richard C. Knighton; Paul D. Beer Axle component separated ion-pair recognition by a neutral heteroditopic [2]rotaxane Chem.Commun. 50 (2014) 1540 Space group: P -1 Cell volume: 2912.9 Cell parameters: 12.643; 14.2835; 16.965; 80.423; 87.747; 74.632;

COD ID: 7111878
CIF file	Formula: - C88 H132 Cu6 N8 O35 - Comments: Mrigendra Dubey; Ashish Kumar; Daya Shankar Pandey Homochiral coordination polymeric gel: Zn2±induced conformational changes leading to J-aggregated helical fibres formation Chem.Commun. 50 (2014) 1675 Space group: P 4 21 2 Cell volume: 5995.09 Cell parameters: 21.5599; 21.5599; 12.8974; 90; 90; 90;

COD ID: 7111879
CIF file	Formula: - C19 H22 N2 O6 - Comments: Naresh Vemula; Andrew C. Stevens; Tyler B. Schon; Brian L. Pagenkopf The [4+2] cycloaddition of donor-acceptor cyclobutanes and nitrosoarenes Chem.Commun. 50 (2014) 1668 Space group: P 1 21/c 1 Cell volume: 1815.7 Cell parameters: 13.058; 7.606; 18.376; 90; 95.817; 90;

COD ID: 7111880
CIF file	Formula: - C18 H23 Br N O6 - Comments: Naresh Vemula; Andrew C. Stevens; Tyler B. Schon; Brian L. Pagenkopf The [4+2] cycloaddition of donor-acceptor cyclobutanes and nitrosoarenes Chem.Commun. 50 (2014) 1668 Space group: P 1 21/c 1 Cell volume: 1862.55 Cell parameters: 9.2942; 8.414; 23.8725; 90; 93.897; 90;

COD ID: 7111881
CIF file	Formula: - C16 H11 Br N2 O - Comments: Zhoulong Fan; Kui Wu; Li Xing; Qizheng Yao; Ao Zhang Palladium-catalyzed double C-H activation: one-pot synthesis of benzo[c]pyrazolo[1,2-a]cinnolin-1-ones from 5-pyrazolones and aryl iodides Chem.Commun. 50 (2014) 1682 Space group: P c a 21 Cell volume: 2548.3 Cell parameters: 7.4355; 20.5015; 16.7167; 90; 90; 90;

COD ID: 7111882

CIF file

Formula: - C88 H84 B2 Cl2 Co2 Fe2 N26 O24 -
Comments: Li Cao; Jun Tao; Qian Gao; Tao Liu; Zhengcai Xia; Dongfeng Li Selective on/off switching at room temperature of a magnetic bistable {Fe2Co2} complex with single crystal-to-single crystal transformation via intramolecular electron transfer Chem.Commun. 50 (2014) 1665
Space group: P 1 21/c 1
Cell volume: 4876.9
Cell parameters: 16.092; 17.95; 20.171; 90; 123.172; 90;

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