Crystallography Open Database





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Searching journal of publication like 'Chemistry of materials'

COD ID: 1004006
CIF file Formula: - Ni5.66 Sb Te2 -
Comments: Reynolds, Thomas K.; Bales, Joshua G.; DiSalvo, Francis J. Synthesis and Properties of a New Metal-Rich Nickel Antimonide Telluride or Selenide: Ni~7-δ~SbX~2~ (δ ≈ 1.3; X = Se or Te) Chemistry of Materials 14(11) (2002) 4746-4751
Space group: I 4/m m m
Cell volume: 275.32
Cell parameters: 3.7824; 3.7824; 19.244; 90; 90; 90;  

COD ID: 1004029
CIF file Formula: - C5 H16 Ga6 N2 O27 P6 -
Comments: Josien, L.; Simon, A.; Gramlich, V.; Patarin, J. Synthesis and characterization of the new hydroxygallophosphate Mu-18 with a framework topology closely related to that of the hydroxyaluminophosphate AlPO~4^-^~EN3 Chemistry of Materials 13(4) (2001) 1305-1311
Space group: A b a 2
Cell volume: 2710
Cell parameters: 18.035; 10.513; 14.293; 90; 90; 90;  

COD ID: 1100925
CIF file Formula: - B5 Er3 O12 -
Comments: Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er‒Lu) Chemistry of Materials 17(10) (2005) 2707-2715
Space group: P m n a
Cell volume: 742.38
Cell parameters: 12.8458; 4.6186; 12.5128; 90; 90; 90;  

COD ID: 1100926
CIF file Formula: - B5 O12 Tm3 -
Comments: Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er‒Lu) Chemistry of Materials 17(10) (2005) 2707-2715
Space group: P m n a
Cell volume: 736.1
Cell parameters: 12.82; 4.6019; 12.477; 90; 90; 90;  

COD ID: 1100927
CIF file Formula: - B5 O12 Yb3 -
Comments: Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er‒Lu) Chemistry of Materials 17(10) (2005) 2707-2715
Space group: P m n a
Cell volume: 729.5
Cell parameters: 12.774; 4.5864; 12.451; 90; 90; 90;  

COD ID: 1100928
CIF file Formula: - B5 Lu3 O12 -
Comments: Emme, Holger; Valldor, Martin; Pöttgen, Rainer; Huppertz, Hubert Associating Borate and Silicate Chemistry by Extreme Conditions: High-Pressure Synthesis, Crystal Structure, and Properties of the New Borates RE~3~B~5~O~12~ (RE = Er‒Lu) Chemistry of Materials 17(10) (2005) 2707-2715
Space group: P m n a
Cell volume: 726.605
Cell parameters: 12.7651; 4.575; 12.4418; 90; 90; 90;  

COD ID: 1100929
CIF file Formula: - C12 Cr6 N4 O100 P2 W18 -
Comments: Uchida, Sayaka; Kawamoto, Ryosuke; Akatsuka, Takeo; Hikichi, Shiro; Mizuno, Noritaka Structures and Sorption Properties of Ionic Crystals of Macrocation-Dawson-Type Polyoxometalates with Different Charges Chemistry of Materials 17(6) (2005) 1367-1375
Space group: P 63/m
Cell volume: 4835
Cell parameters: 16.009; 16.009; 21.785; 90; 90; 120;  

COD ID: 1100930
CIF file Formula: - C4.5 H15 F2 Ge6.44 N1.5 O17 Si0.56 -
Comments: Tang, Liqiu; Dadachov, Mike S.; Zou, Xiaodong SU-12: A Silicon-Substituted ASU-16 with Circular 24-Rings and Templated by a Monoamine Chemistry of Materials 17(10) (2005) 2530-2536
Space group: I -4 2 m
Cell volume: 13060.8
Cell parameters: 27.646; 27.646; 17.0885; 90; 90; 90;  

COD ID: 1100931
CIF file Formula: - C52 H68 N4 O5 Zn2 -
Comments: Mizukami, Shin; Houjou, Hirohiko; Sugaya, Kenta; Koyama, Emiko; Tokuhisa, Hideo; Sasaki, Takeshi; Kanesato, Masatoshi Fluorescence Color Modulation by Intramolecular and Intermolecular π‒π Interactions in a Helical Zinc(II) Complex Chemistry of Materials 17(1) (2005) 50-56
Space group: P 1 21/c 1
Cell volume: 5019
Cell parameters: 15.307; 19.782; 16.817; 90; 99.73; 90;  

COD ID: 1100932
CIF file Formula: - C49 H64 N4 O5 Zn2 -
Comments: Mizukami, Shin; Houjou, Hirohiko; Sugaya, Kenta; Koyama, Emiko; Tokuhisa, Hideo; Sasaki, Takeshi; Kanesato, Masatoshi Fluorescence Color Modulation by Intramolecular and Intermolecular π‒π Interactions in a Helical Zinc(II) Complex Chemistry of Materials 17(1) (2005) 50-56
Space group: P -1
Cell volume: 2405.1
Cell parameters: 12.5; 14.17; 15.8; 62.01; 82.3; 76.7;  

COD ID: 1100933
CIF file Formula: - B4 La0.72 O12 Sc2.71 Y0.57 -
Comments: Ye, Ning; Stone-Sundberg, Jennifer L.; Hruschka, Michael A.; Aka, Gerard; Kong, Wei; Keszler, Douglas A. Nonlinear Optical Crystal Y~x~La~y~Sc~z~(BO~3~)~4~ (x + y + z = 4) Chemistry of Materials 17(10) (2005) 2687-2692
Space group: R 3 2 :H
Cell volume: 657.34
Cell parameters: 9.7739; 9.7739; 7.9456; 90; 90; 120;  

COD ID: 1100934
CIF file Formula: - Cr Sb3 Yb -
Comments: Crerar, Shane J.; Deakin, Laura; Mar, Arthur Structure and Physical Properties of Ternary Antimonide YbCr~3~Sb~3~ Chemistry of Materials 17(10) (2005) 2780-2784
Space group: P b c m
Cell volume: 477.6
Cell parameters: 12.981; 6.1396; 5.9926; 90; 90; 90;  

COD ID: 1101016
CIF file Formula: - O Pr0.33 Sr0.32 -
Comments: Thundathil, Mary A.; Jones, Camille Y.; Snyder, G. Jeffrey; Haile, Sossina M. Nonstoichiometry, Structure, and Electrical Properties of "SrPrO~3~" Chemistry of Materials 17(20) (2005) 5146-5154
Space group: P b n m
Cell volume: 311.932
Cell parameters: 5.97469; 6.11883; 8.53249; 90; 90; 90;  

COD ID: 1101142
CIF file Formula: - F2 Li5 O8 P2 V -
Comments: Yin, S.-C.; Herle, P. Subramanya; Higgins, A.; Taylor, N. J.; Makimura, Y.; Nazar, L. F. Dimensional Reduction: Synthesis and Structure of Layered Li~5~M(PO~4~)~2~F~2~ (M = V, Cr) Chemistry of Materials 18(7) (2006) 1745-1752
Space group: P 1 21/c 1
Cell volume: 711.75
Cell parameters: 6.3589; 10.7795; 10.3836; 90; 90.019; 90;  

COD ID: 1101170
CIF file Formula: - C24 H118 Al6 Fe3 N16 O65 P12 -
Comments: Beitone, Lionel; Loiseau, Thierry; Millange, Franck; Huguenard, Clarisse; Fink, Gerhard; Taulelle, Francis; Grenèche, Jean-Marc; Férey, Gérard Tetrahedrally Coordinated Iron(II) Incorporation in the Super-Sodalite Aluminophosphate Fe~3~Al~6~(PO~4~)~12~·4tren·17H~2~O (MIL-74) Chemistry of Materials 15(24) (2003) 4590-4597
Space group: I -4 3 m
Cell volume: 4716.7
Cell parameters: 16.7705; 16.7705; 16.7705; 90; 90; 90;  

COD ID: 1101224
CIF file Formula: - Mo3 Na2 O16 Te3 -
Comments: Chi, Eun Ok; Ok, Kang Min; Porter, Yetta; Halasyamani, P. Shiv Na~2~Te~3~Mo~3~O~16~: A New Molybdenum Tellurite with Second-Harmonic Generating and Pyroelectric Properties Chemistry of Materials 18(8) (2006) 2070-2074
Space group: I 1 2 1
Cell volume: 675.3
Cell parameters: 7.3373; 11.2668; 8.2369; 90; 97.387; 90;  

COD ID: 1200020
CIF file Formula: - Ni5.72 Sb Se2 -
Comments: Thomas K. Reynolds; Joshua G. Bales; Francis J. DiSalvo Synthesis and Properties of a New Metal-Rich Nickel Antimonide Telluride or Selenide: Ni7-SbX2 ( δ ≈ 1.3; X = Se or Te) Chemistry of Materials 14(11) (2002) 4746-4751
Space group: I 4/m m m
Cell volume: 254.83
Cell parameters: 3.7021; 3.7021; 18.593; 90; 90; 90;  

COD ID: 2000128
CIF file Formula: - C3 H18 Al3 N3 O16 P4 -
Comments: Vidal, L.; Marichal, C.; Gramlich, V.; Patarin, J.; Gabelica, Z. Mu-7, a New Layered Aluminophosphate [CH~3~NH~3~]~3~[Al~3~P~4~O~16~] with a 4 × 8 Network: Characterization, Structure, and Possible Crystallization Mechanism Chemistry of Materials 11(10) (1999) 2728-2736
Space group: P -1
Cell volume: 1027.2
Cell parameters: 8.368; 11.274; 11.462; 72.4; 89.45; 85.35;  

COD ID: 4000000
CIF file Formula: - C26 H26 Fe -
Comments: Blanchard, Mélanie D.; Hughes, Russell P.; Concolino, Thomas E.; Rheingold, Arnold L. π-Stacking between Pentafluorophenyl and Phenyl Groups as a Controlling Feature of Intra- and Intermolecular Crystal Structure Motifs in Substituted Ferrocenes. Observation of Unexpected Face-to-Face Stacking between Pentafluorophenyl Rings Chemistry of Materials 12(6) (2000) 1604-1610
Space group: P 1 21/c 1
Cell volume: 975.77
Cell parameters: 9.6395; 8.0062; 12.7395; 90; 97.0381; 90;  

COD ID: 4000001
CIF file Formula: - C24 H17 F5 Fe -
Comments: Blanchard, Mélanie D.; Hughes, Russell P.; Concolino, Thomas E.; Rheingold, Arnold L. π-Stacking between Pentafluorophenyl and Phenyl Groups as a Controlling Feature of Intra- and Intermolecular Crystal Structure Motifs in Substituted Ferrocenes. Observation of Unexpected Face-to-Face Stacking between Pentafluorophenyl Rings Chemistry of Materials 12(6) (2000) 1604-1610
Space group: P -1
Cell volume: 923
Cell parameters: 7.5442; 10.5836; 12.1279; 86.346; 83.046; 73.886;  

COD ID: 4000002
CIF file Formula: - C24 H17 F5 Fe -
Comments: Blanchard, Mélanie D.; Hughes, Russell P.; Concolino, Thomas E.; Rheingold, Arnold L. π-Stacking between Pentafluorophenyl and Phenyl Groups as a Controlling Feature of Intra- and Intermolecular Crystal Structure Motifs in Substituted Ferrocenes. Observation of Unexpected Face-to-Face Stacking between Pentafluorophenyl Rings Chemistry of Materials 12(6) (2000) 1604-1610
Space group: P -1
Cell volume: 923
Cell parameters: 7.5442; 10.5836; 12.1279; 86.346; 83.046; 73.886;  

COD ID: 4000003
CIF file Formula: - C24 H17 F5 Fe -
Comments: Blanchard, Mélanie D.; Hughes, Russell P.; Concolino, Thomas E.; Rheingold, Arnold L. π-Stacking between Pentafluorophenyl and Phenyl Groups as a Controlling Feature of Intra- and Intermolecular Crystal Structure Motifs in Substituted Ferrocenes. Observation of Unexpected Face-to-Face Stacking between Pentafluorophenyl Rings Chemistry of Materials 12(6) (2000) 1604-1610
Space group: P -1
Cell volume: 923
Cell parameters: 7.5442; 10.5836; 12.1279; 86.346; 83.046; 73.886;  

COD ID: 4000004
CIF file Formula: - C22 H8 F10 Fe -
Comments: Blanchard, Mélanie D.; Hughes, Russell P.; Concolino, Thomas E.; Rheingold, Arnold L. π-Stacking between Pentafluorophenyl and Phenyl Groups as a Controlling Feature of Intra- and Intermolecular Crystal Structure Motifs in Substituted Ferrocenes. Observation of Unexpected Face-to-Face Stacking between Pentafluorophenyl Rings Chemistry of Materials 12(6) (2000) 1604-1610
Space group: P 1 21 1
Cell volume: 1911.44
Cell parameters: 10.7378; 13.9667; 13.4215; 90; 108.263; 90;  

COD ID: 4000005
CIF file Formula: - Sn3 Ti2 -
Comments: Kleinke, Holger; Waldeck, Markus; Gütlich, Philipp Ti~2~Sn~3~: A Novel Binary Intermetallic Phase, Prepared by Chemical Transport at Intermediate Temperature Chemistry of Materials 12(8) (2000) 2219-2224
Space group: C m c a
Cell volume: 835.6
Cell parameters: 5.9556; 19.964; 7.0281; 90; 90; 90;  

COD ID: 4000006
CIF file Formula: - C10 H9 Cl0.5 N O1.5 S6 -
Comments: Heuzé, Karine; Mézière, Cécile; Fourmigué, Marc; Batail, Patrick; Coulon, Claude; Canadell, Enric; Auban-Senzier, Pascale; Jérome, Denis An Efficient, Redox-Enhanced Pair of Hydrogen-Bond Tweezers for Chloride Anion Recognition, a Key Synthon in the Construction of a Novel Type of Organic Metal based on the Secondary Amide-Functionalized Ethylenedithiotetrathiafulvalene, β''-(EDT-TTF-CONHMe)~2~[Cl·H~2~O] Chemistry of Materials 12(7) (2000) 1898-1904
Space group: P -1
Cell volume: 732.69
Cell parameters: 4.5376; 11.4249; 14.7464; 75.604; 83.876; 83.047;  

COD ID: 4000007
CIF file Formula: - C30 H46 O3 S -
Comments: Lindsell, W. Edward; Preston, Peter N.; Seddon, John M.; Rosair, Georgina M.; Woodman, Thomas A. J. Macroscopic Helical and Cylindrical Morphologies from Achiral 1,3-Diynes Chemistry of Materials 12(6) (2000) 1572-1576
Space group: P -1
Cell volume: 1402.1
Cell parameters: 5.973; 8.069; 29.524; 95.02; 93.26; 97.48;  

COD ID: 4000008
CIF file Formula: - C2 H10 F Mn N2 O9 V3 -
Comments: Law, Teresa S-C.; Williams, Ian D. Organo-Directed Synthesis of Manganese Vanadates with Variable Stoichiometry and Dimensionality: 1-D [(Hen)~2~Mn(VO~3~)~4~], 2-D [H~2~en]~2~[Mn(VO~3~)~6~], and 3-D [H~2~en][MnF(VO~3~)~3~] Chemistry of Materials 12(8) (2000) 2070-2072
Space group: P b c n
Cell volume: 2331.3
Cell parameters: 14.805; 7.485; 21.038; 90; 90; 90;  

COD ID: 4000009
CIF file Formula: - C4 H18 Mn N4 O12 V4 -
Comments: Law, Teresa S-C.; Williams, Ian D. Organo-Directed Synthesis of Manganese Vanadates with Variable Stoichiometry and Dimensionality: 1-D [(Hen)~2~Mn(VO~3~)~4~], 2-D [H~2~en]~2~[Mn(VO~3~)~6~], and 3-D [H~2~en][MnF(VO~3~)~3~] Chemistry of Materials 12(8) (2000) 2070-2072
Space group: P 1 21/n 1
Cell volume: 858.5
Cell parameters: 5.811; 17.884; 8.417; 90; 101.04; 90;  

COD ID: 4000010
CIF file Formula: - C4 H20 Mn N4 O18 V6 -
Comments: Law, Teresa S-C.; Williams, Ian D. Organo-Directed Synthesis of Manganese Vanadates with Variable Stoichiometry and Dimensionality: 1-D [(Hen)~2~Mn(VO~3~)~4~], 2-D [H~2~en]~2~[Mn(VO~3~)~6~], and 3-D [H~2~en][MnF(VO~3~)~3~] Chemistry of Materials 12(8) (2000) 2070-2072
Space group: P -1
Cell volume: 528.96
Cell parameters: 8.074; 8.522; 8.794; 77.83; 63.44; 83.6;  

COD ID: 4000011
CIF file Formula: - Ce3.67 O3 Se6 Ti2 -
Comments: Tougait, Olivier; Ibers, James A. Synthesis and Characterization of Three New Rare-Earth Titanium Oxyselenides: Ln~3.67~Ti~2~O~3~Se~6~ (Ln = Ce, Nd, Sm) Chemistry of Materials 12(9) (2000) 2653-2658
Space group: C 1 2/m 1
Cell volume: 1235.6
Cell parameters: 28.315; 3.8719; 11.271; 90; 90.45; 90;  

COD ID: 4000012
CIF file Formula: - Nd3.67 O3 Se6 Ti2 -
Comments: Tougait, Olivier; Ibers, James A. Synthesis and Characterization of Three New Rare-Earth Titanium Oxyselenides: Ln~3.67~Ti~2~O~3~Se~6~ (Ln = Ce, Nd, Sm) Chemistry of Materials 12(9) (2000) 2653-2658
Space group: C 1 2/m 1
Cell volume: 1201.8
Cell parameters: 28.121; 3.8232; 11.179; 90; 90.15; 90;  

COD ID: 4000013
CIF file Formula: - O3 Se6 Sm3.67 Ti2 -
Comments: Tougait, Olivier; Ibers, James A. Synthesis and Characterization of Three New Rare-Earth Titanium Oxyselenides: Ln~3.67~Ti~2~O~3~Se~6~ (Ln = Ce, Nd, Sm) Chemistry of Materials 12(9) (2000) 2653-2658
Space group: C 1 2/m 1
Cell volume: 1177
Cell parameters: 27.961; 3.7827; 11.128; 90; 90.26; 90;  

COD ID: 4000014
CIF file Formula: - C24 H16 N4 Rb S12 Se8 Zn -
Comments: Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts Chemistry of Materials 12(10) (2000) 2984-2987
Space group: I 2 2 2
Cell volume: 2100
Cell parameters: 10.137; 44.006; 4.709; 90; 90; 90;  

COD ID: 4000015
CIF file Formula: - C24 H16 Co Cs N4 S12 Se8 -
Comments: Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts Chemistry of Materials 12(10) (2000) 2984-2987
Space group: I 2 2 2
Cell volume: 2123
Cell parameters: 9.812; 44.104; 4.907; 90; 90; 90;  

COD ID: 4000016
CIF file Formula: - C24 H16 Cs N4 S12 Se8 Zn -
Comments: Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts Chemistry of Materials 12(10) (2000) 2984-2987
Space group: I 2 2 2
Cell volume: 2125
Cell parameters: 9.818; 44.13; 4.906; 90; 90; 90;  

COD ID: 4000017
CIF file Formula: - C22 H16 Ag N2 S8 Se8 -
Comments: Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts Chemistry of Materials 12(10) (2000) 2984-2987
Space group: C 1 2 1
Cell volume: 1654
Cell parameters: 10.802; 34.644; 4.981; 90; 117.44; 90;  

COD ID: 4000018
CIF file Formula: - C24 H16 Co N4 Rb S12 Se8 -
Comments: Mori, Hatsumi; Sakurai, Naoki; Tanaka, Shoji; Moriyama, Hiroshi; Mori, Takehiko; Kobayashi, Hayao; Kobayashi, Akiko Control of Electronic State by Dihedral Angle in θ-type Bis(ethylenedithio)tetraselenafulvalene Salts Chemistry of Materials 12(10) (2000) 2984-2987
Space group: I 2 2 2
Cell volume: 2098
Cell parameters: 10.128; 43.97; 4.71; 90; 90; 90;  

COD ID: 4000019
CIF file Formula: - C6 H6 N2 O2 -
Comments: Goeta, Andrés E.; Wilson, Chick C.; Autino, Juan C.; Ellena, Javier; Punte, Graciela Hydrogen Bonding in Nitroanilines: Neutron Diffraction Study of m-Nitroaniline at 100 K Chemistry of Materials 12(11) (2000) 3342-3346
Space group: P c a 21
Cell volume: 614.9
Cell parameters: 18.905; 6.484; 5.016; 90; 90; 90;  

COD ID: 4000020
CIF file Formula: - C40 H43 Cu2 F8 N8 Nb O2 -
Comments: Norquist, Alexander J.; Welk, Margaret E.; Stern, Charlotte L.; Poeppelmeier, Kenneth R. Synthesis of the Neutral (CuF(NC~5~H~5~)~4~)~2~NbOF~5~ Cluster Chemistry of Materials 12(7) (2000) 1905-1909
Space group: I 41/a c d :2
Cell volume: 8873.5
Cell parameters: 24.691; 24.691; 14.556; 90; 90; 90;  

COD ID: 4000021
CIF file Formula: - C18 H14 S12 -
Comments: Mézière, Cécile; Fourmigué, Marc; Canadell, Enric; Clérac, Rodolphe; Bechgaard, Klaus; Auban-Senzier, Pascale Mixed-Valence, Layered, Cation Radical Salts of the Ethane-Bridged Dimeric Tetrathiafulvalene [(EDT-TTF‒CH~2^‒^~)~2~^•+^][X^-^][THF]~0.5~, X^-^ = FeCl~4~^-^, GaCl~4~^-^ Chemistry of Materials 12(8) (2000) 2250-2256
Space group: P b c a
Cell volume: 2417.1
Cell parameters: 11.6493; 9.5395; 21.751; 90; 90; 90;  

COD ID: 4000022
CIF file Formula: - C20 H18 Cl4 Fe O0.5 S12 -
Comments: Mézière, Cécile; Fourmigué, Marc; Canadell, Enric; Clérac, Rodolphe; Bechgaard, Klaus; Auban-Senzier, Pascale Mixed-Valence, Layered, Cation Radical Salts of the Ethane-Bridged Dimeric Tetrathiafulvalene [(EDT-TTF‒CH~2^‒^~)~2~^•+^][X^-^][THF]~0.5~, X^-^ = FeCl~4~^-^, GaCl~4~^-^ Chemistry of Materials 12(8) (2000) 2250-2256
Space group: C 1 2/c 1
Cell volume: 6285.6
Cell parameters: 14.503; 13.9152; 31.148; 90; 90.644; 90;  

COD ID: 4000023
CIF file Formula: - C20 H18 Cl4 Ga O0.5 S12 -
Comments: Mézière, Cécile; Fourmigué, Marc; Canadell, Enric; Clérac, Rodolphe; Bechgaard, Klaus; Auban-Senzier, Pascale Mixed-Valence, Layered, Cation Radical Salts of the Ethane-Bridged Dimeric Tetrathiafulvalene [(EDT-TTF‒CH~2^‒^~)~2~^•+^][X^-^][THF]~0.5~, X^-^ = FeCl~4~^-^, GaCl~4~^-^ Chemistry of Materials 12(8) (2000) 2250-2256
Space group: C 1 2/c 1
Cell volume: 6283
Cell parameters: 14.5016; 13.9153; 31.139; 90; 90.804; 90;  

COD ID: 4000024
CIF file Formula: - Ce9 F18 H67.5 N10.5 O27 -
Comments: Yu, Ranbo; Wang, Dan; Kumada, Nobuhiro; Kinomura, Nobukazu Novel Open-Framework Material: Cerium Oxyfluoride with CeO~6~F~2~ Dodecahedron Chemistry of Materials 12(12) (2000) 3527-3529
Space group: R -3 :H
Cell volume: 2165
Cell parameters: 15.252; 15.2516; 10.749; 90; 90; 120;  

COD ID: 4000025
CIF file Formula: - C21 H18 F5 O3 S18 -
Comments: Ward, Brian H.; Schlueter, John A.; Geiser, Urs; Wang, H. Hau; Morales, Emilio; Parakka, James P.; Thomas, Seddon Y.; Williams, Jack M.; Nixon, Paul G.; Winter, R. W.; Gard, Gary L.; Koo, H.-J.; Whangbo, M.-H. Comparison of the Crystal and Electronic Structures of Three 2:1 Salts of the Organic Donor Molecule BEDT-TTF with Pentafluorothiomethylsulfonate Anions SF~5~CH~2~SO~3~^-^, SF~5~CHFSO~3~^-^, and SF~5~CF~2~SO~3~^-^ Chemistry of Materials 12(2) (2000) 343-351
Space group: P -1
Cell volume: 1742.44
Cell parameters: 8.8052; 11.7986; 17.7276; 75.884; 86.163; 77.333;  

COD ID: 4000026
CIF file Formula: - C21 H17 F6 O3 S18 -
Comments: Ward, Brian H.; Schlueter, John A.; Geiser, Urs; Wang, H. Hau; Morales, Emilio; Parakka, James P.; Thomas, Seddon Y.; Williams, Jack M.; Nixon, Paul G.; Winter, R. W.; Gard, Gary L.; Koo, H.-J.; Whangbo, M.-H. Comparison of the Crystal and Electronic Structures of Three 2:1 Salts of the Organic Donor Molecule BEDT-TTF with Pentafluorothiomethylsulfonate Anions SF~5~CH~2~SO~3~^-^, SF~5~CHFSO~3~^-^, and SF~5~CF~2~SO~3~^-^ Chemistry of Materials 12(2) (2000) 343-351
Space group: P -1
Cell volume: 1761.55
Cell parameters: 8.7965; 11.7264; 17.5763; 95.893; 90.178; 102.286;  

COD ID: 4000027
CIF file Formula: - C21 H16 F7 O3 S18 -
Comments: Ward, Brian H.; Schlueter, John A.; Geiser, Urs; Wang, H. Hau; Morales, Emilio; Parakka, James P.; Thomas, Seddon Y.; Williams, Jack M.; Nixon, Paul G.; Winter, R. W.; Gard, Gary L.; Koo, H.-J.; Whangbo, M.-H. Comparison of the Crystal and Electronic Structures of Three 2:1 Salts of the Organic Donor Molecule BEDT-TTF with Pentafluorothiomethylsulfonate Anions SF~5~CH~2~SO~3~^-^, SF~5~CHFSO~3~^-^, and SF~5~CF~2~SO~3~^-^ Chemistry of Materials 12(2) (2000) 343-351
Space group: P -1
Cell volume: 1705.74
Cell parameters: 7.6994; 13.1514; 17.6425; 81.323; 87.416; 74.994;  

COD ID: 4000028
CIF file Formula: - C4 H68 N6 O22 P4 Zr3 -
Comments: Wang, Dan; Yu, Ranbo; Kumada, Nobuhiro; Kinomura, Nobukazu Nonaqueous Synthesis and Characterization of a Novel Layered Zirconium Phosphate Templated with Mixed Organic and Inorganic Cations Chemistry of Materials 12(4) (2000) 956-960
Space group: P -1
Cell volume: 627
Cell parameters: 9.383; 9.923; 8.342; 97.85; 111.75; 113.01;  

COD ID: 4000029
CIF file Formula: - C2 H12 Ga N2 O11 P3 -
Comments: Chippindale, Ann M. Amine-Templated Unidimensional Phosphate‒Diphosphates of Gallium and Vanadium, [NH~3~CH~2~CH~2~NH~3~][M(H~2~PO~4~)(P~2~O~7~)] (M = Ga, V) Chemistry of Materials 12(3) (2000) 818-822
Space group: C 1 c 1
Cell volume: 1147.82
Cell parameters: 8.6139; 14.929; 9.3109; 90; 106.541; 90;  

COD ID: 4000030
CIF file Formula: - C28 H28 I O4 P -
Comments: Bourgogne, Cyril; Fur, Yvette Le; Juen, Patrick; Masson, Patrick; Nicoud, Jean-François; Masse, René Tetra(4-methoxyphenyl)phosphonium Iodide: A Twinned Crystal Built Up with Three-Dimensional Octupolar Nonlinear Optical Chromophores Chemistry of Materials 12(4) (2000) 1025-1033
Space group: P 21 21 21
Cell volume: 2635.9
Cell parameters: 10.131; 10.131; 25.682; 90; 90; 90;  

COD ID: 4000031
CIF file Formula: - Ba3 O3 S4 V2 -
Comments: Synthesis and Structural Analysis of Ba3V2O3S4 Chemistry of Materials (2001)
Space group: P 63
Cell volume: 530.81
Cell parameters: 10.1661; 10.1661; 5.9306; 90; 90; 120;  

COD ID: 4000032
CIF file Formula: - C10 H56 N10 O29 P6 Ti3 -
Comments: Guo, Yanghong; Shi, Zhan; Yu, Jihong; Wang, Jidong; Liu, Yunling; Bai, Ni; Pang, Wenqin Solvothermal Synthesis and Characterization of a New Titanium Phosphate with a One-Dimensional Chiral Chain Chemistry of Materials 13(1) (2001) 203-207
Space group: P 21 21 21
Cell volume: 3759.4
Cell parameters: 10.18; 15.8992; 23.2271; 90; 90; 90;  

COD ID: 4000033
CIF file Formula: - Eu14 Mn P11 -
Comments: Chemistry of Materials (2001)
Space group: I 41/a c d :2
Cell volume: 5383
Cell parameters: 15.93; 15.93; 21.213; 90; 90; 90;  

COD ID: 4000034
CIF file Formula: - As11 Eu14 Mn -
Comments: Chemistry of Materials (2001)
Space group: I 41/a c d :2
Cell volume: 5773.7
Cell parameters: 16.318; 16.318; 21.684; 90; 90; 90;  

COD ID: 4000035
CIF file Formula: - C12 H22 Cr Gd N8 O6 -
Comments: Chemistry of Materials (2001)
Space group: P -1
Cell volume: 1135.14
Cell parameters: 7.7102; 9.4112; 16.2819; 94.259; 99.989; 100.99;  

COD ID: 4000036
CIF file Formula: - C18 H16 N2 O4 -
Comments: Muthuraman, Meiyappan ; Masse, René ; Nicoud, Jean-François ; Desiraju, Gautam R Molecular complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by O-H...O and C-H...O hydrogen bonds for nonlinear optics. 4-methylpyridine-1-oxide 4-hydroxy-4'-nitrophenyl. Chemistry of Materials (2001)
Space group: P 1 21 1
Cell volume: 789.52
Cell parameters: 5.6171; 7.7555; 18.185; 90; 94.719; 90;  

COD ID: 4000037
CIF file Formula: - C20 H18 N2 O4 -
Comments: Muthuraman, Meiyappan ; Masse, René ; Nicoud, Jean-François ; Desiraju, Gautam R Molecular complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by O-H...O and C-H...O hydrogen bonds for nonlinear optics. 4-methylpyridine-1-oxide 4-hydroxy-4'-nitrostilbene. Chemistry of Materials (2001)
Space group: P 1 21 1
Cell volume: 870.7
Cell parameters: 5.3737; 7.9572; 20.561; 90.001; 97.938; 89.98;  

COD ID: 4000038
CIF file Formula: - C18 H13 N3 O4 -
Comments: Muthuraman, Meiyappan ; Masse, René ; Nicoud, Jean-François ; Desiraju, Gautam R Molecular complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by O-H...O and C-H...O hydrogen bonds for nonlinear optics. 4-cyanopyridine-1-oxide 4-hydroxy-4'-nitrophenyl. Chemistry of Materials (2001)
Space group: P c a 21
Cell volume: 1609.5
Cell parameters: 37.17; 5.6947; 7.6038; 90; 90; 90;  

COD ID: 4000039
CIF file Formula: - C20 H15 N3 O4 -
Comments: Muthuraman, Meiyappan ; Masse, René ; Nicoud, Jean-François ; Desiraju, Gautam R Molecular complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by O-H...O and C-H...O hydrogen bonds for nonlinear optics. 4-cyanopyridine-1-oxide 4-hydroxy-4'-nitrostilbene. Chemistry of Materials (2001)
Space group: P c a 21
Cell volume: 1763.1
Cell parameters: 41.576; 5.4115; 7.8364; 90; 90; 90;  

COD ID: 4000040
CIF file Formula: - C17 H13 N3 O6 -
Comments: Muthuraman, Meiyappan ; Masse, René ; Nicoud, Jean-François ; Desiraju, Gautam R Molecular complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by O-H...O and C-H...O hydrogen bonds for nonlinear optics. 4-nitropyridine-1-oxide 4-hydroxy-4'-nitrophenyl. Chemistry of Materials (2001)
Space group: P 1 21/a 1
Cell volume: 1625
Cell parameters: 14.0195; 8.1263; 15.0153; 90; 108.207; 90;  

COD ID: 4000041
CIF file Formula: - C19 H15 N3 O6 -
Comments: Muthuraman, Meiyappan ; Masse, René ; Nicoud, Jean-François ; Desiraju, Gautam R Molecular complexation as a design tool in the crystal engineering of non-centrosymmetric structures. Ideal orientation of chromophores linked by O-H...O and C-H...O hydrogen bonds for nonlinear optics. 4-nitropyridine-1-oxide 4-hydroxy-4'-nitrostilbene. Chemistry of Materials (2001)
Space group: P 1 21 1
Cell volume: 1754.5
Cell parameters: 12.305; 5.642; 25.979; 90; 103.401; 90;  

COD ID: 4000042
CIF file Formula: - C14 H14 S2 -
Comments: Benincori, T.; Consonni, V.; Gramatica, P.; Pilati, T.; Rizzo, S.; Sannicolo,́ F.; Todeschini, R'; Zotti, G. Steric Control of Conductivity in Highly Conjugated Polythiophenes' Chemistry of Materials (2001)
Space group: P 1 21/n 1
Cell volume: 2454.5
Cell parameters: 15.7886; 10.0214; 16.142; 90; 106.046; 90;  

COD ID: 4000043
CIF file Formula: - C18 H18 S2 -
Comments: Chemistry of Materials (2001)
Space group: P 43 21 2
Cell volume: 1475.1
Cell parameters: 10.6898; 10.6898; 12.909; 90; 90; 90;  

COD ID: 4000044
CIF file Formula: - C12 H10 O S9 -
Comments: Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the sigma-bond: New Donor Components for Organic Metals Chemistry of Materials (2001)
Space group: P 1 21/a 1
Cell volume: 1764.7
Cell parameters: 18.593; 9.663; 10.159; 90; 104.79; 90;  

COD ID: 4000045
CIF file Formula: - C24 H20 As F6 O4 S16 -
Comments: Chemistry of Materials (2001)
Space group: P -1
Cell volume: 871
Cell parameters: 5.086; 11.5; 15.08; 99.01; 90.16; 91.09;  

COD ID: 4000046
CIF file Formula: - C23 H12 N4 O2 S8 -
Comments: Chemistry of Materials (2001)
Space group: P -1
Cell volume: 1267.2
Cell parameters: 8.0813; 24.418; 6.707; 90.35; 105.766; 95.495;  

COD ID: 4000047
CIF file Formula: - C4 H4 Mn N8 O2 -
Comments: Chemistry of Materials (2001)
Space group: P 1 21/c 1
Cell volume: 415.66
Cell parameters: 6.4216; 10.099; 6.5008; 90; 99.622; 90;  

COD ID: 4000048
CIF file Formula: - C40 H72 Cl4 Cu N2 -
Comments: Francesco Neve; Oriano Francescangeli; Alessandra Crispini; Jonathan Charmant A2MX4 Copper(II) Pyridinium Salts. From Ionic Liquids to Layered Solids to Liqui Chemistry of Materials (2001)
Space group: C 1 2 1
Cell volume: 2307.5
Cell parameters: 40.131; 7.9554; 7.2309; 90; 91.71; 90;  

COD ID: 4000049
CIF file Formula: - C20 H36 Cl2 Cu0.5 N -
Comments: Chemistry of Materials (2001)
Space group: P 1 21/m 1
Cell volume: 2220.3
Cell parameters: 7.284; 16.032; 19.029; 90; 92.38; 90;  

COD ID: 4000050
CIF file Formula: - C36 H84 Ga4 O12 -
Comments: Chemistry of Materials (2001)
Space group: P 41 21 2
Cell volume: 5050.5
Cell parameters: 12.5566; 12.5566; 32.0324; 90; 90; 90;  

COD ID: 4000051
CIF file Formula: - C30 H66 Ga2 O6 -
Comments: Chemistry of Materials (2001)
Space group: P 1 21/c 1
Cell volume: 5390.8
Cell parameters: 9.1778; 17.5206; 33.606; 90; 93.985; 90;  

COD ID: 4000052
CIF file Formula: - C14 H34 Ga N O3 -
Comments: Chemistry of Materials (2001)
Space group: P 1 21/n 1
Cell volume: 1876.7
Cell parameters: 10.1444; 12.8117; 14.4492; 90; 92.085; 90;  

COD ID: 4000053
CIF file Formula: - C16 H12 N2 O4 Zn -
Comments: Chemistry of Materials (2001)
Space group: C 1 c 1
Cell volume: 1558.5
Cell parameters: 10.3518; 22.4134; 8.3186; 90; 126.149; 90;  

COD ID: 4000054
CIF file Formula: - C16 H14 Cd N2 O5 -
Comments: Chemistry of Materials (2001)
Space group: C 1 c 1
Cell volume: 1739.89
Cell parameters: 12.0137; 22.3435; 7.7738; 90; 123.509; 90;  

COD ID: 4000055
CIF file Formula: - C24 H16 Cd N2 O4 -
Comments: Chemistry of Materials (2001)
Space group: I
Cell volume: 15093
Cell parameters: 22.92; 28.738; 22.999; 90; 94.908; 90;  

COD ID: 4000056
CIF file Formula: - C38 H31 N3 O8 Zn2 -
Comments: Chemistry of Materials (2001)
Space group: P 1 21/c 1
Cell volume: 3518.3
Cell parameters: 22.0278; 6.7802; 24.3992; 90; 105.096; 90;  

COD ID: 4000057
CIF file Formula: - C32 H26 Cl4 Hg N2 -
Comments: Chemistry of Materials (2001)
Space group: P 1 21/n 1
Cell volume: 3098.7
Cell parameters: 14.9179; 12.7554; 16.3222; 90; 93.89; 90;  

COD ID: 4000058
CIF file Formula: - C32 H26 Br2 Cl2 Hg N2 -
Comments: Chemistry of Materials (2001)
Space group: P 1 21/n 1
Cell volume: 3175.4
Cell parameters: 15.2145; 12.7376; 16.4406; 90; 94.706; 90;  

COD ID: 4000059
CIF file Formula: - C6 H28 Cl Co N6 O26 P6 Zn8 -
Comments: Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled Chemistry of Materials (2001)
Space group: P -3 1 c
Cell volume: 1622.7
Cell parameters: 8.8775; 8.8775; 23.775; 90; 90; 120;  

COD ID: 4000060
CIF file Formula: - C12 H56 Co2 N12 O32 P8 Zn6 -
Comments: Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled about a Chiral Metal Complex: [CoII(en)3]2[Zn6P8O32H8] and [CoIII(en)3][Zn8P6O24Cl].2H2O Chemistry of Materials (2001) 2972-2978
Space group: C 1 2/c 1
Cell volume: 8868
Cell parameters: 16.623; 30.589; 17.441; 90; 90.352; 90;  

COD ID: 4000061
CIF file Formula: - C12 H8 N2 O4 Zn -
Comments: Chemistry of Materials (2001)
Space group: P 43 21 2
Cell volume: 1208.11
Cell parameters: 7.7094; 7.7094; 20.3266; 90; 90; 90;  

COD ID: 4000062
CIF file Formula: - C12 H8 Cd N2 O4 -
Comments: Chemistry of Materials (2001)
Space group: P 1 21/n 1
Cell volume: 1262.74
Cell parameters: 10.0548; 10.2194; 12.7326; 90; 105.169; 90;  

COD ID: 4000063
CIF file Formula: - C28 H20 Cd N2 O4 -
Comments: Chemistry of Materials (2001)
Space group: F d d 2
Cell volume: 4687.79
Cell parameters: 20.6215; 36.4257; 6.2408; 90; 90; 90;  

COD ID: 4000064
CIF file Formula: - C35 H25.75 N2.25 O4.75 Zn -
Comments: Chemistry of Materials (2001)
Space group: C 1 c 1
Cell volume: 10617.1
Cell parameters: 21.8745; 15.1576; 32.8632; 90; 102.997; 90;  

COD ID: 4000065
CIF file Formula: - C28 H22 N2 O5 Zn -
Comments: Chemistry of Materials (2001)
Space group: P 21 21 2
Cell volume: 1136.76
Cell parameters: 7.6251; 25.4296; 5.8625; 90; 90; 90;  

COD ID: 4000066
CIF file Formula: - C24 H16 N2 O4 S2 Zn -
Comments: Chemistry of Materials (2001)
Space group: P c c a
Cell volume: 2069.4
Cell parameters: 17.1501; 9.9657; 12.1082; 90; 90; 90;  

COD ID: 4000067
CIF file Formula: - C13 H16 N3 O3 S -
Comments: Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials 13(9) (2001) 3018
Space group: P -1
Cell volume: 707.39
Cell parameters: 7.2214; 7.5155; 14.9226; 88.007; 82.683; 61.762;  

COD ID: 4000068
CIF file Formula: - C26 H32 N6 O6 S2 -
Comments: Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials 13(9) (2001) 3018
Space group: P -1
Cell volume: 710.08
Cell parameters: 7.308; 7.4666; 15.0563; 90.319; 97.553; 118.995;  

COD ID: 4000069
CIF file Formula: - C25 H28 N3 O3 S -
Comments: Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials 13(9) (2001) 3018
Space group: P 1 21/n 1
Cell volume: 2367
Cell parameters: 7.5289; 12.4257; 25.4206; 90; 95.539; 90;  

COD ID: 4000070
CIF file Formula: - C23 H29 N6 O6 S2 -
Comments: Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials 13(9) (2001) 3018
Space group: P -1
Cell volume: 645.11
Cell parameters: 6.2313; 7.1774; 14.736; 78.793; 89.763; 86.279;  

COD ID: 4000071
CIF file Formula: - C23 H29 N6 O6 S2 -
Comments: Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials 13(9) (2001) 3018
Space group: P -1
Cell volume: 645.11
Cell parameters: 6.2313; 7.1774; 14.736; 78.793; 89.763; 86.279;  

COD ID: 4000072
CIF file Formula: - C26 H32 N6 O6 S2 -
Comments: Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials 13(9) (2001) 3018
Space group: P n a 21
Cell volume: 2798.2
Cell parameters: 17.3485; 7.4584; 21.6256; 90; 90; 90;  

COD ID: 4000073
CIF file Formula: - C26 H32 N6 O6 S2 -
Comments: Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials 13(9) (2001) 3018
Space group: P n a 21
Cell volume: 2798.2
Cell parameters: 17.3485; 7.4584; 21.6256; 90; 90; 90;  

COD ID: 4000074
CIF file Formula: - C25 H28 N3 O3 S -
Comments: Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials 13(9) (2001) 3018
Space group: P 1 21/n 1
Cell volume: 2320.1
Cell parameters: 7.5509; 25.493; 12.0573; 90; 91.574; 90;  

COD ID: 4000075
CIF file Formula: - C26 H32 N6 O6 S2 -
Comments: Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials 13(9) (2001) 3018
Space group: C 1 2/c 1
Cell volume: 2778.7
Cell parameters: 31.569; 7.356; 12.7025; 90; 109.611; 90;  

COD ID: 4000076
CIF file Formula: - C25 H28 N3 O3 S -
Comments: Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials 13(9) (2001) 3018
Space group: P 1 21/n 1
Cell volume: 2302.3
Cell parameters: 7.5382; 25.5444; 11.9693; 90; 92.656; 90;  

COD ID: 4000077
CIF file Formula: - C75 H84 N9 O9 S3 -
Comments: Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D. Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks Chemistry of Materials 13(9) (2001) 3018
Space group: C 1 m 1
Cell volume: 6994.3
Cell parameters: 13.854; 77.733; 7.5814; 90; 121.055; 90;  

COD ID: 4000078
CIF file Formula: - Ba S8 V6 -
Comments: Chemistry of Materials (2001)
Space group: P 63/m
Cell volume: 243.553
Cell parameters: 9.208; 9.208; 3.3169; 90; 90; 120;  

COD ID: 4000079
CIF file Formula: - C15 H12 Cd Cl2 N4 O7 -
Comments: Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad Organizing chain and square-grid architectures by employing coordination bonds between inorganic and organic components. New coordination polymers formed from Cd(II), Co(II) and Cu(II) nitrate salts and 1,4-bis(4-pyridyl)butadiyne Chemistry of Materials (2001)
Space group: C 1 2/c 1
Cell volume: 4184.6
Cell parameters: 28.135; 8.4347; 17.6423; 90; 91.797; 90;  

COD ID: 4000080
CIF file Formula: - C14 H12 Co N4 O10 -
Comments: Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad Organizing chain and square-grid architectures by employing coordination bonds between inorganic and organic components. New coordination polymers formed from Cd(II), Co(II) and Cu(II) nitrate salts and 1,4-bis(4-pyridyl)butadiyne Chemistry of Materials (2001)
Space group: P c c n
Cell volume: 3966.1
Cell parameters: 22.999; 23.338; 7.3888; 90; 90; 90;  

COD ID: 4000081
CIF file Formula: - C29 H18 Cl2 Cu N6 O6 -
Comments: Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad Organizing chain and square-grid architectures by employing coordination bonds between inorganic and organic components. New coordination polymers formed from Cd(II), Co(II) and Cu(II) nitrate salts and 1,4-bis(4-pyridyl)butadiyne Chemistry of Materials (2001)
Space group: C 2 2 21
Cell volume: 2937.6
Cell parameters: 14.3826; 22.7555; 8.9757; 90; 90; 90;  

COD ID: 4000082
CIF file Formula: - C29 H18 Cl2 Co N6 O6 -
Comments: Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad Organizing chain and square-grid architectures by employing coordination bonds between inorganic and organic components. New coordination polymers formed from Cd(II), Co(II) and Cu(II) nitrate salts and 1,4-bis(4-pyridyl)butadiyne Chemistry of Materials (2001)
Space group: C 2 2 21
Cell volume: 2991.7
Cell parameters: 14.0364; 23.7595; 8.9706; 90; 90; 90;  

COD ID: 4000083
CIF file Formula: - C H4 Mn N Se -
Comments: Inorganic-Organic Hybrid Composites Containing MQ (II-VI) Slabs: A New Class of Nanostructures with Strong Quantum Confinement and Periodic Arrangement Chemistry of Materials (2001)
Space group: P b c a
Cell volume: 786.5
Cell parameters: 6.711; 6.614; 17.72; 90; 90; 90;  

COD ID: 4000084
CIF file Formula: - C3 H10 Mn2 N2 Se2 -
Comments: Chemistry of Materials (2001)
Space group: C m c 21
Cell volume: 899.1
Cell parameters: 20.383; 6.719; 6.565; 90; 90; 90;  

COD ID: 4000085
CIF file Formula: - C34 H14 S6 -
Comments: Chemistry of Materials (2001)
Space group: P -1
Cell volume: 2582.7
Cell parameters: 11.396; 11.49; 20.141; 78.49; 89.59; 88;  

COD ID: 4000086
CIF file Formula: - C12 H11 Cu F6 O2 -
Comments: Chen, T.-Y.; Vaissermann, J.; Ruiz, E.; Senateur, J. P.; Doppelt, P. 2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal Chemistry of Materials 13(11) (2001) 3993-4004
Space group: P 1 21/n 1
Cell volume: 2854
Cell parameters: 11.498; 16.858; 15.235; 90; 104.9; 90;  

COD ID: 4000087
CIF file Formula: - C12 H14 Cu F3 O2 -
Comments: Chen, T.-Y.; Vaissermann, J.; Ruiz, E.; Senateur, J. P.; Doppelt, P. 2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal Chemistry of Materials 13(11) (2001) 3993-4004
Space group: P -1
Cell volume: 663.5
Cell parameters: 6.918; 10.654; 10.884; 63.28; 71.44; 71.07;  

COD ID: 4000088
CIF file Formula: - C12 H10 Cu F7 O2 -
Comments: Chen, T.-Y.; Vaissermann, J.; Ruiz, E.; Senateur, J. P.; Doppelt, P. 2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal Chemistry of Materials 13(11) (2001) 3993-4004
Space group: P 1 21/n 1
Cell volume: 1465
Cell parameters: 7.321; 20.312; 9.868; 90; 93.26; 90;  

COD ID: 4000089
CIF file Formula: - H21 N3 O39 U11 -
Comments: Synthesis and Structural Characterization and Topological Re-arrangement of a Novel Open Framework U-O Material: (NH4)3(H2O)2{[(UO2)10O10(OH)][(UO4)(H2O)2]} Chemistry of Materials (2001)
Space group: C 1 2/c 1
Cell volume: 3512
Cell parameters: 11.6273; 21.161; 14.706; 90; 103.93; 90;  

COD ID: 4000090
CIF file Formula: - Cl Cs3 H12 O25 U6 -
Comments: Chemistry of Materials (2001)
Space group: C 1 2 1
Cell volume: 1351.2
Cell parameters: 19.615; 7.239; 12.064; 90; 127.929; 90;  

COD ID: 4000091
CIF file Formula: - As Ti Zr -
Comments: Chemistry of Materials (2001)
Space group: I 4/m m m
Cell volume: 212.94
Cell parameters: 3.7928; 3.7928; 14.802; 90; 90; 90;  

COD ID: 4000092
CIF file Formula: - As Ti1.42 Zr0.58 -
Comments: Chemistry of Materials (2001)
Space group: I 4/m m m
Cell volume: 201.94
Cell parameters: 3.7325; 3.7325; 14.495; 90; 90; 90;  

COD ID: 4000093
CIF file Formula: - H17 Na8 O47.5 Si12 Ti5 -
Comments: Chemistry of Materials (2001)
Space group: C m m m
Cell volume: 1162.1
Cell parameters: 23.2272; 7.1751; 6.9727; 90; 90; 90;  

COD ID: 4000094
CIF file Formula: - Na0.8 O7.6 Si2.4 Sr0.8 Ti -
Comments: Chemistry of Materials (2001)
Space group: C m m m
Cell volume: 1167.9
Cell parameters: 23.19; 7.2259; 6.9699; 90; 90; 90;  

COD ID: 4000095
CIF file Formula: - Ga K O14 Te6 -
Comments: Chemistry of Materials (2001)
Space group: P a -3
Cell volume: 1304.57
Cell parameters: 10.9267; 10.9267; 10.9267; 90; 90; 90;  

COD ID: 4000096
CIF file Formula: - Ga H3.6 K O7.8 Te2 -
Comments: Chemistry of Materials (2001)
Space group: P -1
Cell volume: 620.63
Cell parameters: 8.8361; 9.1648; 9.9531; 115.395; 93.973; 116.011;  

COD ID: 4000097
CIF file Formula: - C42 H36 N2 Ni O4 -
Comments: Chemistry of Materials (2001)
Space group: P -1
Cell volume: 1765.1
Cell parameters: 11.302; 12.505; 13.007; 80.78; 76.67; 86.51;  

COD ID: 4000098
CIF file Formula: - C42 H36 N2 Ni O4 -
Comments: Chemistry of Materials (2001)
Space group: P 1 21/n 1
Cell volume: 3528.1
Cell parameters: 8.768; 35.91; 12; 90; 110.97; 90;  

COD ID: 4000099
CIF file Formula: - C50 H44 N2 Ni O4 -
Comments: Chemistry of Materials (2001)
Space group: P -1
Cell volume: 3084.7
Cell parameters: 11.765; 12.861; 21.378; 98.92; 99.23; 100.29;  

COD ID: 4000100
CIF file Formula: - C48 H41 Cl N2 Ni O4 -
Comments: Chemistry of Materials (2001)
Space group: P -1
Cell volume: 995.4
Cell parameters: 8.234; 9.595; 13.214; 79.51; 77; 82.23;  

COD ID: 4000101
CIF file Formula: - C36 H29 N O4 Zn -
Comments: Chemistry of Materials (2001)
Space group: F d d 2
Cell volume: 6007.7
Cell parameters: 21.189; 28.212; 10.05; 90; 90; 90;  

COD ID: 4000102
CIF file Formula: - C42 H36 Cd N2 O4 -
Comments: Chemistry of Materials (2001)
Space group: P 1 21/c 1
Cell volume: 3462.8
Cell parameters: 13.953; 15.902; 16; 90; 102.73; 90;  

COD ID: 4000103
CIF file Formula: - C42 H36 Cd N2 O4 -
Comments: Chemistry of Materials (2001)
Space group: P 21 21 21
Cell volume: 3520.6
Cell parameters: 11.516; 16.417; 18.622; 90; 90; 90;  

COD ID: 4000104
CIF file Formula: - B Fe1.05 H0 N0.41 O10.59 P2 -
Comments: Huang, Ya-Xi; Schäfer, Gerd; Carrillo-Carbrera, Wilder; Cardoso, Raul; Schnelle, Walter; Zhao, Jing-Tai; Kniep, Rüdiger Open-Framework Borophosphates: (NH4)0.4Fe1.05(H2O)2[BP2O8]*0.6H2O and NH4Fe[BP2O8(OH)] Chemistry of Materials (2001)
Space group: P 65
Cell volume: 1222.5
Cell parameters: 9.483; 9.483; 15.697; 90; 90; 120;  

COD ID: 4000105
CIF file Formula: - B Fe H5 N O9 P2 -
Comments: Chemistry of Materials (2001)
Space group: P 1 21/c 1
Cell volume: 737.04
Cell parameters: 9.3698; 8.3092; 9.68; 90; 102.049; 90;  

COD ID: 4000106
CIF file Formula: - C27 H28 Co3 O26 -
Comments: Chemistry of Materials (2001)
Space group: P 65 2 2
Cell volume: 4986.92
Cell parameters: 16.7265; 16.7265; 20.5822; 90; 90; 120;  

COD ID: 4000107
CIF file Formula: - C27 H21 Co3 K O23 -
Comments: Chemistry of Materials (2001)
Space group: P 1 2/c 1
Cell volume: 1592.5
Cell parameters: 9.6096; 12.561; 13.9736; 90; 109.239; 90;  

COD ID: 4000108
CIF file Formula: - C2 H10 Ce2 F10 N2 -
Comments: Sykora, Richard E.; Albrecht-Schmitt, T. E. Chemistry of Materials (2001)
Space group: C 1 2/c 1
Cell volume: 970.08
Cell parameters: 15.933; 7.042; 8.6496; 90; 91.661; 90;  

COD ID: 4000109
CIF file Formula: - Ce2 F10 H16 Ni O8 -
Comments: Chemistry of Materials (2001)
Space group: P 1 21/c 1
Cell volume: 663.46
Cell parameters: 10.9439; 6.9769; 8.7108; 90; 94.031; 90;  

COD ID: 4000110
CIF file Formula: - C28 H42 Ba N6 O5 S2 -
Comments: Chemistry of Materials (2001)
Space group: C 1 2/c 1
Cell volume: 3343
Cell parameters: 17.727; 9.722; 20.761; 90; 110.88; 90;  

COD ID: 4000111
CIF file Formula: - Eu Ge Li2 S4 -
Comments: Chemistry of Materials (2001)
Space group: I -4 2 m
Cell volume: 329.64
Cell parameters: 6.5447; 6.5447; 7.696; 90; 90; 90;  

COD ID: 4000112
CIF file Formula: - C39 H46 Cl2 Cu N6 O2 -
Comments: Chemistry of Materials (2002)
Space group: I 1 2/a 1
Cell volume: 7496.4
Cell parameters: 17.1905; 16.242; 26.8593; 90; 91.593; 90;  

COD ID: 4000113
CIF file Formula: - C26 H31 Cl2 Cu N4 O1.5 -
Comments: Chemistry of Materials (2002)
Space group: P 21 21 21
Cell volume: 10768.8
Cell parameters: 16.3139; 18.2111; 36.247; 90; 90; 90;  

COD ID: 4000114
CIF file Formula: - C26 H33.5 Cl2 Cu N4 O2.75 -
Comments: Chemistry of Materials (2002)
Space group: I 41/a :2
Cell volume: 12148.7
Cell parameters: 17.221; 17.221; 40.9649; 90; 90; 90;  

COD ID: 4000115
CIF file Formula: - Ca Eu13 Mn Sb11 -
Comments: Chemistry of Materials (2002)
Space group: I 41/a c d :2
Cell volume: 6720.7
Cell parameters: 17.2235; 17.2235; 22.6555; 90; 90; 90;  

COD ID: 4000116
CIF file Formula: - Ca2 Eu12 Mn Sb11 -
Comments: Chemistry of Materials (2002)
Space group: I 41/a c d :2
Cell volume: 6657.9
Cell parameters: 17.1737; 17.1737; 22.5741; 90; 90; 90;  

COD ID: 4000117
CIF file Formula: - C52 H40 N2 Ni O4 -
Comments: Chemistry of Materials (2002)
Space group: P -1
Cell volume: 1037.5
Cell parameters: 8.031; 12.155; 12.471; 61.53; 79.66; 76.57;  

COD ID: 4000118
CIF file Formula: - C76 H64 N2 Ni O4 -
Comments: Chemistry of Materials (2002)
Space group: P -1
Cell volume: 1500.6
Cell parameters: 11.565; 12.354; 13.205; 110.34; 94.32; 117.73;  

COD ID: 4000119
CIF file Formula: - C58 H46 N2 Ni O4 -
Comments: Chemistry of Materials (2002)
Space group: P -1
Cell volume: 2284.6
Cell parameters: 11.278; 13.63; 16.378; 80.81; 70.94; 74.38;  

COD ID: 4000120
CIF file Formula: - C58 H45 F N2 Ni O4 -
Comments: Chemistry of Materials (2002)
Space group: P -1
Cell volume: 2289.9
Cell parameters: 11.278; 13.634; 16.407; 80.87; 70.76; 74.65;  

COD ID: 4000121
CIF file Formula: - C58 H45 Cl N2 Ni O4 -
Comments: Chemistry of Materials (2002)
Space group: P -1
Cell volume: 2314.5
Cell parameters: 11.318; 13.694; 16.43; 81.43; 70.09; 75.73;  

COD ID: 4000122
CIF file Formula: - C58 H45 Br N2 Ni O4 -
Comments: Chemistry of Materials (2002)
Space group: P -1
Cell volume: 2331
Cell parameters: 11.333; 13.738; 16.409; 82.14; 69.93; 76.75;  

COD ID: 4000123
CIF file Formula: - C59 H48 N2 Ni O4 -
Comments: Chemistry of Materials (2002)
Space group: P -1
Cell volume: 2309.4
Cell parameters: 11.295; 13.77; 16.376; 81.27; 69.95; 75.4;  

COD ID: 4000124
CIF file Formula: - C60 H50 N2 Ni O4 -
Comments: Chemistry of Materials (2002)
Space group: P -1
Cell volume: 2348.4
Cell parameters: 11.321; 13.989; 16.46; 80.95; 68.68; 75.9;  

COD ID: 4000125
CIF file Formula: - C14 H12 Cl4 Co0.05 Fe0.95 S12 -
Comments: Chemistry of Materials (2002)
Space group: C 1 2/c 1
Cell volume: 2762
Cell parameters: 24.08; 5.838; 22.46; 90; 118.94; 90;  

COD ID: 4000126
CIF file Formula: - C14 H12 Cl4 Co0.3 Ga0.7 S12 -
Comments: Chemistry of Materials (2002)
Space group: C 1 2/c 1
Cell volume: 2779.5
Cell parameters: 24.163; 5.841; 22.577; 90; 119; 90;  

COD ID: 4000127
CIF file Formula: - C14 H12 Cl4 Co0.4 Fe0.6 S12 -
Comments: Chemistry of Materials (2002)
Space group: C 1 2/c 1
Cell volume: 2765
Cell parameters: 24.073; 5.847; 22.45; 90; 118.93; 90;  

COD ID: 4000128
CIF file Formula: - C14 H12 Cl4 Co0.9 Mn0.1 S12 -
Comments: Chemistry of Materials (2002)
Space group: C 1 2/c 1
Cell volume: 2777
Cell parameters: 24.32; 5.837; 22.576; 90; 119.94; 90;  

COD ID: 4000129
CIF file Formula: - C40 H30 Fe N12 S2 -
Comments: Dunru Zhu; Yan Xu; Zhi Yu; Zijian Guo; Xiaozeng You; Hai Sang A Novel Bis(trans-thiocyanate)iron(II) Spin Transition Molecular Material with Bidentate Triaryltriazole Ligands and its Bis(cis-thiocyanate)iron(II) High-spin Isomer Chemistry of Materials (2002)
Space group: P -1
Cell volume: 922.1
Cell parameters: 9.12; 9.2563; 11.576; 76.256; 76.405; 84.983;  

COD ID: 4000130
CIF file Formula: - C40 H30 Fe N12 S2 -
Comments: Chemistry of Materials (2002)
Space group: C 1 2/c 1
Cell volume: 3885
Cell parameters: 21.851; 13.4113; 16.859; 90; 128.153; 90;  

COD ID: 4000131
CIF file Formula: - C21 H9 N O3 -
Comments: Heterotriangulenes-Structure and Properties Chemistry of Materials (2002)
Space group: P 1 21/n 1
Cell volume: 1355.2
Cell parameters: 3.8947; 18.039; 19.303; 90; 92.202; 90;  

COD ID: 4000132
CIF file Formula: - C20 H11 N O2 -
Comments: Chemistry of Materials (2002)
Space group: C 1 2/c 1
Cell volume: 1342.08
Cell parameters: 9.2322; 13.508; 10.7647; 90; 91.337; 90;  

COD ID: 4000133
CIF file Formula: - C19 H13 N O -
Comments: Chemistry of Materials (2002)
Space group: P 1
Cell volume: 669.65
Cell parameters: 8.6891; 9.1609; 9.3638; 68.97; 79.005; 75.622;  

COD ID: 4000134
CIF file Formula: - C24 H21 N O6 -
Comments: Chemistry of Materials (2002)
Space group: P -1
Cell volume: 1081.1
Cell parameters: 8.2076; 8.8702; 15.687; 102.006; 91.049; 103.99;  

COD ID: 4000135
CIF file Formula: - C63 H61 N5 O10 -
Comments: Homayoun Nozary; Claude Piguet; Jean-Pierre Rivera; Paul Tissot; Pierre-Yves Morgantini; Jacques Weber; Bernardinelli, Gérald; Jean-Claude G. Bnzli; Robert Deschenaux; Bertrand Donnio; Daniel Guillon Aromatic Bent-Core Liquid Crystals: an Opportunity for Introducing Terdentate Binding Units into Mesophases Chemistry of Materials (2002)
Space group: P -1
Cell volume: 2691
Cell parameters: 9.7295; 13.7023; 20.9998; 102.886; 99.294; 90.223;  

COD ID: 4000136
CIF file Formula: - C81 H87 F9 Lu N5 O17 -
Comments: Homayoun Nozary; Claude Piguet; Jean-Pierre Rivera; Paul Tissot; Pierre-Yves Morgantini; Jacques Weber; Bernardinelli, Gérald; Jean-Claude G. Bnzli; Robert Deschenaux; Bertrand Donnio; Daniel Guillon Aromatic Bent-Core Liquid Crystals: an Opportunity for Introducing Terdentate Binding Units into Mesophases Chemistry of Materials (2002)
Space group: P -1
Cell volume: 3966.3
Cell parameters: 13.6773; 14.6177; 20.809; 75.803; 79.667; 89.016;  

COD ID: 4000137
CIF file Formula: - C8 H15.84 Cd N2 O19.92 Zr -
Comments: Chemistry of Materials (2002)
Space group: P 64 2 2
Cell volume: 1663.4
Cell parameters: 9.061; 9.061; 23.394; 90; 90; 120;  

COD ID: 4000138
CIF file Formula: - C10 H14.12 Cd N2 O20.39 Zr -
Comments: Chemistry of Materials (2002)
Space group: P 31 1 2
Cell volume: 1698.4
Cell parameters: 9.105; 9.105; 23.656; 90; 90; 120;  

COD ID: 4000139
CIF file Formula: - C2 H6 Cu N S10 Sb6 -
Comments: Chemistry of Materials (2002)
Space group: P 1 21/n 1
Cell volume: 1919.41
Cell parameters: 11.2578; 12.5259; 13.939; 90; 102.445; 90;  

COD ID: 4000140
CIF file Formula: - C24 H54 O7 Si V -
Comments: Chemistry of Materials (2002)
Space group: P 1 21/n 1
Cell volume: 3234.7
Cell parameters: 9.669; 16.446; 20.417; 90; 94.941; 90;  

COD ID: 4000141
CIF file Formula: - C32 H72 O10 Si2 V -
Comments: Chemistry of Materials (2002)
Space group: P 1 21/n 1
Cell volume: 4406.2
Cell parameters: 9.616; 16.597; 27.803; 90; 96.78; 90;  

COD ID: 4000142
CIF file Formula: - C14 H12 Cd F12 O6 -
Comments: A Liquid MOCVD Precursor for Thin Films of CdO. Chemistry of Materials (2002)
Space group: P 1 21/n 1
Cell volume: 2247
Cell parameters: 12.118; 13.066; 14.453; 90; 100.92; 90;  

COD ID: 4000143
CIF file Formula: - C28 H46 O2 Sr -
Comments: Chemistry of Materials (2002)
Space group: C 1 2/c 1
Cell volume: 5504.9
Cell parameters: 21.931; 20.688; 15.877; 90; 130.17; 90;  

COD ID: 4000144
CIF file Formula: - C28 H46 Ba O2 -
Comments: Chemistry of Materials (2002)
Space group: C 1 2/c 1
Cell volume: 5631.1
Cell parameters: 22.054; 20.556; 16.087; 90; 129.45; 90;  

COD ID: 4000145
CIF file Formula: - C8 H12 F6 N2 O4 S2 -
Comments: Chemistry of Materials (2002)
Space group: P 1 21/n 1
Cell volume: 1466.2
Cell parameters: 8.1121; 14.5315; 12.8176; 90; 103.979; 90;  

COD ID: 4000146
CIF file Formula: - C8 H14 F6 N2 O4 S2 -
Comments: Chemistry of Materials (2002)
Space group: P 1 21/c 1
Cell volume: 1488.66
Cell parameters: 8.5034; 13.8305; 12.8083; 90; 98.785; 90;  

COD ID: 4000147
CIF file Formula: - C5 H10 F6 N2 O4 S2 -
Comments: Chemistry of Materials (2002)
Space group: P 1 21/c 1
Cell volume: 1296.8
Cell parameters: 7.6084; 14.215; 12.5086; 90; 106.552; 90;  

COD ID: 4000148
CIF file Formula: - C14 H28 F6 N2 O4 S2 -
Comments: Chemistry of Materials (2002)
Space group: P 1 21/n 1
Cell volume: 2213
Cell parameters: 9.7417; 22.8615; 10.0251; 90; 97.62; 90;  

COD ID: 4000149
CIF file Formula: - Ba Eu13 Mn Sb11 -
Comments: Chemistry of Materials (2002)
Space group: I 41/a c d :2
Cell volume: 6885.8
Cell parameters: 17.387; 17.387; 22.7773; 90; 90; 90;  

COD ID: 4000150
CIF file Formula: - Ca Eu13 Mn Sb11 -
Comments: Chemistry of Materials (2002)
Space group: I 41/a c d :2
Cell volume: 6720.7
Cell parameters: 17.2235; 17.2235; 22.6555; 90; 90; 90;  

COD ID: 4000151
CIF file Formula: - Eu13 Mn Sb11 Sr -
Comments: Chemistry of Materials (2002)
Space group: I 41/a c d :2
Cell volume: 6817.2
Cell parameters: 17.2989; 17.2989; 22.7809; 90; 90; 90;  

COD ID: 4000152
CIF file Formula: - Eu13 Mn Sb11 Yb -
Comments: Chemistry of Materials (2002)
Space group: I 41/a c d :2
Cell volume: 6788
Cell parameters: 17.28; 17.28; 22.733; 90; 90; 90;  

COD ID: 4000153
CIF file Formula: - In2 O15 Se6 -
Comments: Chemistry of Materials (2002)
Space group: P 1 c 1
Cell volume: 1390.15
Cell parameters: 11.1463; 13.321; 9.7149; 90; 105.478; 90;  

COD ID: 4000154
CIF file Formula: - C8 H8 Eu2 O8 -
Comments: Serre,Christian; Millange, Franck; Marrot, Jerome; Ferey, Gerard Hydrothermal Synthesis, Structure Determination, Thermal Behavior of New Three-dimensional Europium Terephtalates : MIL-51LT, HT and MIL-52 or Eu2n(OH)x(H2O)y(O2C-C6H4-CO2)z (n=III, III, II; x=4, 0, 0; y=2, 0, 0; z=1, 1, 2) Chemistry of Materials (2002)
Space group: P -1
Cell volume: 272.91
Cell parameters: 3.6773; 6.2569; 11.969; 91.01; 97.53; 91.03;  

COD ID: 4000155
CIF file Formula: - C16 H8 Eu2 O8 -
Comments: Chemistry of Materials (2002)
Space group: P b c a
Cell volume: 1404.45
Cell parameters: 7.4052; 10.1144; 18.7512; 90; 90; 90;  

COD ID: 4000156
CIF file Formula: - Cu O2 Sc -
Comments: Chemistry of Materials (2002)
Space group: P 63/m m c
Cell volume: 101.89
Cell parameters: 3.2146; 3.2146; 11.3857; 90; 90; 120;  

COD ID: 4000157
CIF file Formula: - Cu O2 Sc -
Comments: Chemistry of Materials (2002)
Space group: P63/mmc
Cell volume: 102.21
Cell parameters: 3.2163; 3.2163; 11.409; 90; 90; 120;  

COD ID: 4000158
CIF file Formula: - Cu O2 Sc -
Comments: Chemistry of Materials (2002)
Space group: P63/mmc
Cell volume: 102.19
Cell parameters: 3.2162; 3.2163; 11.408; 90; 90; 120;  

COD ID: 4000159
CIF file Formula: - Cu O2 Sc -
Comments: Chemistry of Materials (2002)
Space group: P63/mmc
Cell volume: 102.2
Cell parameters: 3.2164; 3.2164; 11.407; 90; 90; 120;  

COD ID: 4000160
CIF file Formula: - Cu O2 Sc -
Comments: Chemistry of Materials (2002)
Space group: P63/mmc
Cell volume: 102.21
Cell parameters: 3.2168; 3.2168; 11.406; 90; 90; 120;  

COD ID: 4000161
CIF file Formula: - Cu O2 Sc -
Comments: Chemistry of Materials (2002)
Space group: P63/mmc
Cell volume: 102.24
Cell parameters: 3.2173; 3.2173; 11.405; 90; 90; 120;  

COD ID: 4000162
CIF file Formula: - Cu O2 Sc -
Comments: Chemistry of Materials (2002)
Space group: P63/mmc
Cell volume: 102.29
Cell parameters: 3.2182; 3.2182; 11.405; 90; 90; 120;  

COD ID: 4000163
CIF file Formula: - Cu O2 Sc -
Comments: Chemistry of Materials (2002)
Space group: P63/mmc
Cell volume: 102.33
Cell parameters: 3.2189; 3.2189; 11.404; 90; 90; 120;  

COD ID: 4000164
CIF file Formula: - Cu O2 Sc -
Comments: Chemistry of Materials (2002)
Space group: P63/mmc
Cell volume: 102.96
Cell parameters: 3.2275; 3.2275; 11.413; 90; 90; 120;  

COD ID: 4000165
CIF file Formula: - Cu O2 Sc -
Comments: Chemistry of Materials (2002)
Space group: P63/mmc
Cell volume: 103.26
Cell parameters: 3.2315; 3.2315; 11.418; 90; 90; 120;  

COD ID: 4000166
CIF file Formula: - Cu O2 Sc -
Comments: Chemistry of Materials (2002)
Space group: P63/mmc
Cell volume: 103.57
Cell parameters: 3.2357; 3.2357; 11.423; 90; 90; 120;  

COD ID: 4000167
CIF file Formula: - Cu O2 Sc -
Comments: Chemistry of Materials (2002)
Space group: P63/mmc
Cell volume: 104.06
Cell parameters: 3.2422; 3.2422; 11.431; 90; 90; 120;  

COD ID: 4000168
CIF file Formula: - Cu O2 Sc -
Comments: Chemistry of Materials (2002)
Space group: P63/mmc
Cell volume: 104.43
Cell parameters: 3.2472; 3.2472; 11.436; 90; 90; 120;  

COD ID: 4000169
CIF file Formula: - I2 K O8 V -
Comments: Sykora, Richard E.; Ok, Kang Min; Halasyamani, P. Shiv; Wells, Daniel M.; Albrecht-Schmitt, T. E. Chemistry of Materials (2002)
Space group: P 1 21/n 1
Cell volume: 748.6
Cell parameters: 9.4001; 5.2383; 15.725; 90; 104.799; 90;  

COD ID: 4000170
CIF file Formula: - I2 O8 Rb V -
Comments: Sykora, Richard E.; Ok, Kang Min; Halasyamani, P. Shiv; Wells, Daniel M.; Albrecht-Schmitt, T. E. Chemistry of Materials (2002)
Space group: P -1
Cell volume: 388.91
Cell parameters: 5.2878; 7.983; 9.669; 72.456; 89.686; 87.929;  

COD ID: 4000171
CIF file Formula: - H0 I3 N O13 V2 -
Comments: Sykora, Richard E.; Ok, Kang Min; Halasyamani, P. Shiv; Wells, Daniel M.; Albrecht-Schmitt, T. E. Chemistry of Materials (2002)
Space group: I m a 2
Cell volume: 1159.4
Cell parameters: 14.099; 10.2138; 8.051; 90; 90; 90;  

COD ID: 4000172
CIF file Formula: - I3 O13 Rb V2 -
Comments: Sykora, Richard E.; Ok, Kang Min; Halasyamani, P. Shiv; Wells, Daniel M.; Albrecht-Schmitt, T. E. Chemistry of Materials (2002)
Space group: I m a 2
Cell volume: 1161.06
Cell parameters: 14.1212; 10.2392; 8.03; 90; 90; 90;  

COD ID: 4000173
CIF file Formula: - Cs I3 O13 V2 -
Comments: Sykora, Richard E.; Ok, Kang Min; Halasyamani, P. Shiv; Wells, Daniel M.; Albrecht-Schmitt, T. E. Chemistry of Materials (2002)
Space group: I m a 2
Cell volume: 1181.6
Cell parameters: 14.181; 10.3178; 8.0756; 90; 90; 90;  

COD ID: 4000174
CIF file Formula: - Ga4.4 Ge0.6 Ni2 Y0.59 -
Comments: Chemistry of Materials (2002)
Space group: P 63/m m c
Cell volume: 235.18
Cell parameters: 4.1344; 4.1344; 15.887; 90; 90; 120;  

COD ID: 4000175
CIF file Formula: - Ga4.56 Ge0.44 Ni2 Sm0.53 -
Comments: Chemistry of Materials (2002)
Space group: P 63/m m c
Cell volume: 241.61
Cell parameters: 4.1748; 4.1748; 16.007; 90; 90; 120;  

COD ID: 4000176
CIF file Formula: - Ga4.4 Ge0.6 Ho0.66 Ni2 -
Comments: Chemistry of Materials (2002)
Space group: P 63/m m c
Cell volume: 236.71
Cell parameters: 4.1491; 4.1491; 15.877; 90; 90; 120;  

COD ID: 4000177
CIF file Formula: - Ga4.76 Ni2 Si0.24 Tb0.66 -
Comments: Chemistry of Materials (2002)
Space group: P 63/m m c
Cell volume: 235.33
Cell parameters: 4.1415; 4.1415; 15.843; 90; 90; 120;  

COD ID: 4000178
CIF file Formula: - Ga5.94 Ni2 Si0.06 Sm0.67 -
Comments: Chemistry of Materials (2002)
Space group: P -6 m 2
Cell volume: 139.76
Cell parameters: 4.1976; 4.1976; 9.159; 90; 90; 120;  

COD ID: 4000179
CIF file Formula: - Ga5 Gd0.67 Ge Ni2 -
Comments: Chemistry of Materials (2002)
Space group: P -6 m 2
Cell volume: 139.08
Cell parameters: 4.1856; 4.1856; 9.167; 90; 90; 120;  

COD ID: 4000180
CIF file Formula: - Dy0.62 Ga5.25 Ge Ni2 -
Comments: Chemistry of Materials (2002)
Space group: P 3 1 c
Cell volume: 834.23
Cell parameters: 7.2536; 7.2536; 18.308; 90; 90; 120;  

COD ID: 4000181
CIF file Formula: - Na2 O9 Te W2 -
Comments: Chemistry of Materials (2002)
Space group: I 1 a 1
Cell volume: 3012.7
Cell parameters: 13.1394; 7.3202; 31.4435; 90; 95.027; 90;  

COD ID: 4000182
CIF file Formula: - Ca12 Eu2 Mn Sb11 -
Comments: Chemistry of Materials (2002)
Space group: I 41/a c d :2
Cell volume: 6250.8
Cell parameters: 16.7963; 16.7963; 22.1567; 90; 90; 90;  

COD ID: 4000183
CIF file Formula: - Ca11 Eu3 Mn Sb11 -
Comments: Chemistry of Materials (2002)
Space group: I 41/a c d :2
Cell volume: 6316.2
Cell parameters: 16.8685; 16.8685; 22.1974; 90; 90; 90;  

COD ID: 4000184
CIF file Formula: - Ca9 Eu5 Mn Sb11 -
Comments: Chemistry of Materials (2002)
Space group: I 41/a c d :2
Cell volume: 6377
Cell parameters: 16.9297; 16.9297; 22.2492; 90; 90; 90;  

COD ID: 4000185
CIF file Formula: - Ca7 Eu7 Mn Sb11 -
Comments: Chemistry of Materials (2002)
Space group: I 41/a c d :2
Cell volume: 6455.3
Cell parameters: 17.014; 17.014; 22.2998; 90; 90; 90;  

COD ID: 4000186
CIF file Formula: - Ca5 Eu9 Mn Sb11 -
Comments: Chemistry of Materials (2002)
Space group: I 41/a c d :2
Cell volume: 6540.9
Cell parameters: 17.0832; 17.0832; 22.4131; 90; 90; 90;  

COD ID: 4000187
CIF file Formula: - C46 H100 N11 S8 W6 -
Comments: Chemistry of Materials (2002)
Space group: P -1
Cell volume: 1565.6
Cell parameters: 12.056; 12.236; 12.574; 97.934; 105.571; 114.065;  

COD ID: 4000188
CIF file Formula: - C6 H0 Mn3 N6 O35.5 S8 W6 -
Comments: Chemistry of Materials (2002)
Space group: C 1 2/c 1
Cell volume: 5971.6
Cell parameters: 14.6782; 22.0639; 18.4989; 90; 94.618; 90;  

COD ID: 4000189
CIF file Formula: - C6 H0 Fe3 N6 O36.5 S8 W6 -
Comments: Chemistry of Materials (2002)
Space group: C 1 2/c 1
Cell volume: 5843.6
Cell parameters: 14.6008; 21.968; 18.286; 90; 94.94; 90;  

COD ID: 4000190
CIF file Formula: - C6 H70 Co3 N6 O35 S8 W6 -
Comments: Chemistry of Materials (2002)
Space group: C 1 2/c 1
Cell volume: 5680
Cell parameters: 14.448; 21.885; 18.03; 90; 94.879; 90;  

COD ID: 4000191
CIF file Formula: - C6 H60 K2 N6 O30 S8 W6 Zn2 -
Comments: Jin, Song; DiSalvo, Francis J. 3-D Coordination Network Structures Constructed from [W6S8(CN)6]6- Anions Chemistry of Materials (2002)
Space group: P n n m
Cell volume: 2929.2
Cell parameters: 15.693; 16.914; 11.0355; 90; 90; 90;  

COD ID: 4000192
CIF file Formula: - Bi4.6 Ca1.1 O10.5 V -
Comments: Synthesis, Crystal Structure and Oxide Ion Conductivity in Bi4.6Ca1.1VO10.5 Chemistry of Materials (2002)
Space group: P n n m
Cell volume: 2199.2
Cell parameters: 11.93; 16.03; 11.5; 90; 90; 90;  

COD ID: 4000193
CIF file Formula: - C3 H13 F2 Fe3 N2 O12 P3 -
Comments: Chemistry of Materials (2002)
Space group: P -1
Cell volume: 680
Cell parameters: 6.431; 10.274; 10.439; 80.56; 89.53; 87.94;  

COD ID: 4000194
CIF file Formula: - C16 H41 Ga6 N4 O41.5 P6 -
Comments: Choi, C; Anokhina, E V; Taullelle, F; Zhao, Y; Lachgar, A (C10H28N4)[Ga6(OH)2(PO4)2(HPO4)4(C2O4)3].3.5H2O Preparation, Crystal Structure, NMR Spectroscopy, and Thermal Stability of a Novel Gallium Phosphatooxalate with pendant Oxalate ligands Chemistry of Materials (2002)
Space group: P -1
Cell volume: 1043.55
Cell parameters: 9.022; 9.1864; 13.4912; 73.988; 79.199; 78.775;  

COD ID: 4000195
CIF file Formula: - Cl14.23 K1.87 Nb6 O4.78 Ti2 -
Comments: Chemistry of Materials (2002)
Space group: C 1 2/c 1
Cell volume: 2608.9
Cell parameters: 21.513; 8.65; 15.707; 90; 116.805; 90;  

COD ID: 4000196
CIF file Formula: - Cl14.36 Nb6 O4.64 Rb1.76 Ti2 -
Comments: Chemistry of Materials (2002)
Space group: C 1 2/c 1
Cell volume: 2672.1
Cell parameters: 21.503; 8.8162; 15.71; 90; 116.207; 90;  

COD ID: 4000197
CIF file Formula: - Cl14 Cs2 Nb6 O5 Ti2 -
Comments: Chemistry of Materials (2002)
Space group: C 1 2/c 1
Cell volume: 2780.4
Cell parameters: 21.775; 9.048; 15.715; 90; 116.097; 90;  

COD ID: 4000198
CIF file Formula: - C58 H42 Br10 O30 Zr5 -
Comments: Guido Kickelbick; Dieter Holzinger; Chad Brick; Ellen Moons Hybrid Inorganic-Organic Core-Shell Particles from Surface-Functionalized Titanium-, Zirconium and Vanadium Oxo Clusters (CM021216Y) Chemistry of Materials (2002)
Space group: P 1 21/n 1
Cell volume: 9215
Cell parameters: 18.5336; 21.9145; 22.6935; 90; 91.208; 90;  

COD ID: 4000199
CIF file Formula: - C27 H28 Br5 O17 Ti3 -
Comments: Chemistry of Materials (2002)
Space group: P 1 21/n 1
Cell volume: 4287.9
Cell parameters: 12.7781; 15.2375; 22.7764; 90; 104.784; 90;  

COD ID: 4000200
CIF file Formula: - C21 H25 Br6 O16 V3 -
Comments: Chemistry of Materials (2002)
Space group: P -1
Cell volume: 2134.5
Cell parameters: 10.967; 12.126; 17.378; 107.372; 98.015; 99.125;  

COD ID: 4000201
CIF file Formula: - C14 H18 Mn N2 O9 -
Comments: Chemistry of Materials (2002)
Space group: P 1 21/c 1
Cell volume: 1766
Cell parameters: 18.7156; 11.5444; 8.1738; 90; 90.536; 90;  

COD ID: 4000202
CIF file Formula: - Ni5.66 Sb Te2 -
Comments: Reynolds, Thomas K.; Bales, Joshua G.; DiSalvo, Francis J. Synthesis and Properties of a New Metal-Rich Nickel Antimonide Telluride or Selenide: Ni~7-δ~SbX~2~ (δ ≈ 1.3; X = Se or Te) Chemistry of Materials 14(11) (2002) 4746-4751
Space group: I 4/m m m
Cell volume: 275.32
Cell parameters: 3.7824; 3.7824; 19.244; 90; 90; 90;  

COD ID: 4000203
CIF file Formula: - Ni5.72 Sb Se2 -
Comments: Chemistry of Materials (2002)
Space group: I 4/m m m
Cell volume: 254.83
Cell parameters: 3.7021; 3.7021; 18.593; 90; 90; 90;  

COD ID: 4000204
CIF file Formula: - Ce3 Sb5 Ti -
Comments: Moore, S. H. Devon; Deakin, L.; Ferguson, M. J.; Mar, Arthur Physical Properties and Bonding in RE~3~TiSb~5~(RE = La, Ce, Pr, Nd, Sm) Chemistry of Materials (2002)
Space group: P 63/m c m
Cell volume: 479.67
Cell parameters: 9.4277; 9.4277; 6.2316; 90; 90; 120;  

COD ID: 4000205
CIF file Formula: - Pr3 Sb5 Ti -
Comments: Chemistry of Materials (2002)
Space group: P 63/m c m
Cell volume: 473.96
Cell parameters: 9.3835; 9.3835; 6.2156; 90; 90; 120;  

COD ID: 4000206
CIF file Formula: - Nd3 Sb5 Ti -
Comments: Chemistry of Materials (2002)
Space group: P 63/m c m
Cell volume: 469.39
Cell parameters: 9.3517; 9.3517; 6.1976; 90; 90; 120;  

COD ID: 4000207
CIF file Formula: - Sb5 Sm3 Ti -
Comments: Chemistry of Materials (2002)
Space group: P 63/m c m
Cell volume: 458.86
Cell parameters: 9.2758; 9.2758; 6.1581; 90; 90; 120;  

COD ID: 4000208
CIF file Formula: - C16 H16 Cd F12 O7 -
Comments: Synthesis and Characterization of Liquid MOCVD Precursors for Thin Films of Cadmium oxide. Chemistry of Materials (2002)
Space group: P -1
Cell volume: 2497.1
Cell parameters: 13.23; 13.35; 14.904; 77.02; 78.99; 80.47;  

COD ID: 4000209
CIF file Formula: - C18 H20 Cd F12 O8 -
Comments: Chemistry of Materials (2002)
Space group: P c 21 n
Cell volume: 2724.5
Cell parameters: 11.694; 14.972; 15.561; 90; 90; 90;  

COD ID: 4000210
CIF file Formula: - B6 Gd H3 O12 -
Comments: Chemistry of Materials (2002)
Space group: R 3 c :H
Cell volume: 1270.8
Cell parameters: 8.405; 8.405; 20.771; 90; 90; 120;  

COD ID: 4000211
CIF file Formula: - B5 Gd O9 -
Comments: GdB5O9 Chemistry of Materials (2002)
Space group: I 41/a c d :2
Cell volume: 2282.88
Cell parameters: 8.23813; 8.23813; 33.6377; 90; 90; 90;  

COD ID: 4000212
CIF file Formula: - C7 H7 Cu I N O -
Comments: Chemistry of Materials (2002)
Space group: P 21 21 21
Cell volume: 908.5
Cell parameters: 4.121; 8.376; 26.321; 90; 90; 90;  

COD ID: 4000213
CIF file Formula: - C14 H14 Cu I N2 O2 -
Comments: Chemistry of Materials (2002)
Space group: P 1 c 1
Cell volume: 759.9
Cell parameters: 12.374; 4.251; 15.081; 90; 106.67; 90;  

COD ID: 4000214
CIF file Formula: - C2 H7 N O5.5 S U0.5 -
Comments: Chemistry of Materials (2002)
Space group: C 1 2/c 1
Cell volume: 1277
Cell parameters: 14.7676; 7.6585; 11.6807; 90; 104.837; 90;  

COD ID: 4000215
CIF file Formula: - C6 H16 N2 O11 S2 U -
Comments: Chemistry of Materials (2002)
Space group: P 1 21/n 1
Cell volume: 1417.8
Cell parameters: 8.648; 7.7135; 21.2554; 90; 90.7254; 90;  

COD ID: 4000216
CIF file Formula: - C5 H16 N2 O11 S2 U -
Comments: Chemistry of Materials (2002)
Space group: P -1
Cell volume: 1381.5
Cell parameters: 10.7537; 11.4297; 11.5797; 87.998; 79.66; 80.6313;  

COD ID: 4000217
CIF file Formula: - C4 H15 Cr N3 O5 -
Comments: Chemistry of Materials (2003)
Space group: C 1 2/c 1
Cell volume: 1919.6
Cell parameters: 12.2161; 16.5452; 10.525; 90; 115.531; 90;  

COD ID: 4000218
CIF file Formula: - C18 H20 Eu N3 O13 -
Comments: P. C. R. Soares-Santos; H.I.S. Nogueira; V. Felix; M.G.B. Drew; R. A. S Ferreira; L. D. Carlos; T. Trindade Chemistry of Materials (2003)
Space group: P 1 21/c 1
Cell volume: 2238
Cell parameters: 9.105; 18.796; 13.531; 90; 104.86; 90;  

COD ID: 4000219
CIF file Formula: - C2 H4 Al2 F2 O8.51 P2 -
Comments: Chemistry of Materials (2003)
Space group: P 1 21/m 1
Cell volume: 487.2
Cell parameters: 4.9387; 12.06; 8.1856; 90; 92.045; 90;  

COD ID: 4000220
CIF file Formula: - C48 H68 Mg2 O9 -
Comments: Chemistry of Materials (2003)
Space group: C 1 2/c 1
Cell volume: 4660.2
Cell parameters: 16.808; 16.08; 17.714; 90; 103.243; 90;  

COD ID: 4000221
CIF file Formula: - C60 H68 Cl4 Fe2 N16 O20 -
Comments: Galina S. Matouzenko; Nicolas Br‚fuel; Monique Perrin; Azzedine Bousseksou; Serguei A. Borshch Spin Crossover Iron(II) Coordination Polymer With Zigzag Chain Structure Chemistry of Materials (2003)
Space group: C 1 2/c 1
Cell volume: 3548.3
Cell parameters: 23.625; 11.892; 16.51; 90; 130.09; 90;  

COD ID: 4000222
CIF file Formula: - C30 H34 Cl2 Fe N8 O10 -
Comments: Galina S. Matouzenko; Nicolas Br‚fuel; Monique Perrin; Azzedine Bousseksou; Serguei A. Borshch Spin Crossover Iron(II) Coordination Polymer With Zigzag Chain Structure Chemistry of Materials (2003)
Space group: C 1 2/c 1
Cell volume: 3320.7
Cell parameters: 23.188; 11.559; 16.256; 90; 130.35; 90;  

COD ID: 4000223
CIF file Formula: - C12 H37.58 F4 Ge14.8 N6 O35.33 -
Comments: Plevert, Jacques; Gentz, Travis M.; Groy, Thomas L.; O'Keeffe, Michael; Yaghi, Omar M. Layered structures constructed from new linkages of Ge7(O,OH,F)19 clusters Chemistry of Materials (2003)
Space group: P -1
Cell volume: 2499.1
Cell parameters: 11.4191; 12.0525; 18.1847; 90.704; 92.635; 91.389;  

COD ID: 4000224
CIF file Formula: - C9 H21 F3 Ge7 N3 O16 -
Comments: Plevert, Jacques; Gentz, Travis M.; Groy, Thomas L.; O'Keeffe, Michael; Yaghi, Omar M. Layered structures constructed from new linkages of Ge7(O,OH,F)19 clusters Chemistry of Materials (2003)
Space group: C 1 2/c 1
Cell volume: 4780.5
Cell parameters: 16.318; 16.6125; 17.8898; 90; 99.6837; 90;  

COD ID: 4000225
CIF file Formula: - C9 H21 F3 Ge7 N3 O16 -
Comments: Plevert, Jacques; Gentz, Travis M.; Groy, Thomas L.; O'Keeffe, Michael; Yaghi, Omar M. Layered structures constructed from new linkages of Ge7(O,OH,F)19 clusters Chemistry of Materials (2003)
Space group: C 1 2/c 1
Cell volume: 5015.9
Cell parameters: 15.9525; 17.5476; 19.0027; 90; 109.446; 90;  

COD ID: 4000226
CIF file Formula: - B12 H12 O28 Zn4 -
Comments: Schubert, David M.; Alam, Fazlul; Visi, Mandana Z.; Knobler, Carolyn B. Chemistry of Materials (2003)
Space group: P 1 21/n 1
Cell volume: 493.8
Cell parameters: 6.8452; 9.798; 7.697; 90; 106.966; 90;  

COD ID: 4000227
CIF file Formula: - C20 H68 N4 O40 P8 Zn4 -
Comments: Mu-21: a three-dimensional microporous zincophosphate obtained by direct synthesis and reversible dehydration of the zincophosphate Mu-19' Chemistry of Materials (2003)
Space group: P 21 21 21
Cell volume: 1265.8
Cell parameters: 10.42002; 10.45229; 11.62209; 90; 90; 90;  

COD ID: 4000228
CIF file Formula: - C2 H10 F3 Fe N2 O4 S -
Comments: Chemistry of Materials (2003)
Space group: P 21 21 21
Cell volume: 801.61
Cell parameters: 6.4111; 9.5223; 13.1307; 90; 90; 90;  

COD ID: 4000229
CIF file Formula: - C H6 F0.5 Fe0.5 N3 O4 S -
Comments: Chemistry of Materials (2003)
Space group: C 1 2/c 1
Cell volume: 1239.7
Cell parameters: 11.0508; 16.014; 7.1023; 90; 99.471; 90;  

COD ID: 4000230
CIF file Formula: - C4 H16 F Fe N3 O8 S2 -
Comments: Chemistry of Materials (2003)
Space group: P 1 21/c 1
Cell volume: 1224.5
Cell parameters: 8.5; 7.305; 19.846; 90; 96.49; 90;  

COD ID: 4000231
CIF file Formula: - C4 H12 F3 Fe N2 O4 S -
Comments: Chemistry of Materials (2003)
Space group: P -1
Cell volume: 471.17
Cell parameters: 7.3521; 8.5698; 8.5925; 70.784; 73.569; 69.889;  

COD ID: 4000232
CIF file Formula: - C H7 F Fe N O5 S -
Comments: Chemistry of Materials (2003)
Space group: P -1
Cell volume: 309.97
Cell parameters: 5.0904; 7.3687; 9.1698; 72.388; 85.257; 71.025;  

COD ID: 4000233
CIF file Formula: - C2 H11 Cr F3 N2 O3 P -
Comments: Chemistry of Materials (2003)
Space group: P 21 21 21
Cell volume: 777.9
Cell parameters: 12.801; 9.3375; 6.5081; 90; 90; 90;  

COD ID: 4000234
CIF file Formula: - C2 H11 F3 N2 O3 P V -
Comments: Chemistry of Materials (2003)
Space group: P 21 21 21
Cell volume: 785.2
Cell parameters: 12.809; 9.518; 6.4403; 90; 90; 90;  

COD ID: 4000235
CIF file Formula: - C7 H4 I1.27 S4 Se2 -
Comments: Chemistry of Materials (2003)
Space group: P n m a
Cell volume: 1251
Cell parameters: 3.959; 12.415; 25.469; 90; 90; 90;  

COD ID: 4000236
CIF file Formula: - C7 H4 I1.22 S4 Se2 -
Comments: Chemistry of Materials (2003)
Space group: P n m a
Cell volume: 1253
Cell parameters: 3.9645; 12.421; 25.463; 90; 90; 90;  

COD ID: 4000237
CIF file Formula: - C7 H4 I1.23 S4 Se2 -
Comments: Chemistry of Materials (2003)
Space group: P n m a
Cell volume: 1253
Cell parameters: 3.962; 12.422; 25.47; 90; 90; 90;  

COD ID: 4000238
CIF file Formula: - Ce2 In8 Ir -
Comments: Chemistry of Materials (2003)
Space group: P 4/m m m
Cell volume: 266.07
Cell parameters: 4.671; 4.671; 12.195; 90; 90; 90;  

COD ID: 4000239
CIF file Formula: - Ce2 In8 Rh -
Comments: Chemistry of Materials (2003)
Space group: P 4/m m m
Cell volume: 266.75
Cell parameters: 4.667; 4.667; 12.247; 90; 90; 90;  

COD ID: 4000240
CIF file Formula: - In8 Ir La2 -
Comments: Chemistry of Materials (2003)
Space group: P 4/m m m
Cell volume: 272.667
Cell parameters: 4.706; 4.706; 12.312; 90; 90; 90;  

COD ID: 4000241
CIF file Formula: - In8 La2 Rh -
Comments: Chemistry of Materials (2003)
Space group: P 4/m m m
Cell volume: 272.447
Cell parameters: 4.698; 4.698; 12.344; 90; 90; 90;  

COD ID: 4000242
CIF file Formula: - Gd5 Ge2.5 Si1.5 -
Comments: Chemistry of Materials (2003)
Space group: P n m a
Cell volume: 878.63
Cell parameters: 7.6583; 14.7934; 7.7554; 90; 90; 90;  

COD ID: 4000243
CIF file Formula: - Gd5 Ge2.5 Si1.5 -
Comments: Choe, Wonyoung; Miller, Gordon J.; Meyers, John; Chumbley, Scott; Pecharsky, A. O. "Nanoscale Zippers" in the Crystalline Solid: Structural Variations in the Magnetocaloric Material Gd5(Si1.5Ge2.5) Chemistry of Materials (2003)
Space group: P n m a
Cell volume: 866.6
Cell parameters: 7.517; 14.8; 7.79; 90; 90; 90;  

COD ID: 4000244
CIF file Formula: - C80 H50 I16 -
Comments: Stephen Lee; Banglin Chen; Daniel C. Fredrickson; Francis J. DiSalvo; Emil Lobkovsky; Judith A. Adams Chemistry of Materials (2003)
Space group: P -1
Cell volume: 4025.7
Cell parameters: 13.5263; 13.6606; 22.886; 79.649; 82.653; 76.305;  

COD ID: 4000245
CIF file Formula: - C30 H27 I11.5 S6 -
Comments: Stephen Lee; Banglin Chen; Daniel C. Fredrickson; Francis J. DiSalvo; Emil Lobkovsky; Judith A. Adams Chemistry of Materials (2003)
Space group: P -1
Cell volume: 2307.9
Cell parameters: 10.845; 12.758; 17.66; 107.217; 95.966; 94.088;  

COD ID: 4000246
CIF file Formula: - C3 H9 F N O5 P U -
Comments: Chemistry of Materials (2003)
Space group: P 1 21/n 1
Cell volume: 834.9
Cell parameters: 6.9288; 8.1174; 14.8505; 90; 91.7173; 90;  

COD ID: 4000247
CIF file Formula: - C4 H13 N O8 P2 U -
Comments: Chemistry of Materials (2003)
Space group: P 1 21/a 1
Cell volume: 1163.1
Cell parameters: 10.0682; 8.9121; 12.9631; 90; 90.4901; 90;  

COD ID: 4000248
CIF file Formula: - C16 H24 F4 N2 O15 P2 U3 -
Comments: Chemistry of Materials (2003)
Space group: P b c m
Cell volume: 2891.1
Cell parameters: 6.7796; 17.2821; 24.6754; 90; 90; 90;  

COD ID: 4000249
CIF file Formula: - C32 H23 N2 O17 P4 U2.5 -
Comments: Chemistry of Materials (2003)
Space group: P -1
Cell volume: 2236.1
Cell parameters: 11.4732; 14.9097; 15.448; 64.2307; 70.2105; 84.136;  

COD ID: 4000250
CIF file Formula: - C6 H6 Cl O2 P Sn -
Comments: Chemistry of Materials (2003)
Space group: P -1
Cell volume: 434.34
Cell parameters: 5.4767; 8.8106; 9.5219; 104.564; 95.44; 99.349;  

COD ID: 4000251
CIF file Formula: - C H3 Cl2 O3 P Sn2 -
Comments: Chemistry of Materials (2003)
Space group: P -1
Cell volume: 391.8
Cell parameters: 4.7275; 6.152; 13.632; 81.299; 89.052; 89.781;  

COD ID: 4000252
CIF file Formula: - C4 H11 Cl O6 P2 Sn2 -
Comments: Chemistry of Materials (2003)
Space group: P 1 21/m 1
Cell volume: 616.9
Cell parameters: 4.814; 8.53; 15.214; 90; 99.09; 90;  

COD ID: 4000253
CIF file Formula: - C2 H5 O3 P Sn -
Comments: Chemistry of Materials (2003)
Space group: C 1 c 1
Cell volume: 555.3
Cell parameters: 4.6415; 18.695; 6.4964; 90; 99.907; 90;  

COD ID: 4000254
CIF file Formula: - C0.67 H2 O2 P0.67 Sn0.67 -
Comments: Chemistry of Materials (2003)
Space group: P 1 21/c 1
Cell volume: 459.3
Cell parameters: 4.5998; 15.43; 6.5861; 90; 100.719; 90;  

COD ID: 4000255
CIF file Formula: - C2 H4 O6 P2 Sn2 -
Comments: Chemistry of Materials (2003)
Space group: P 1 21/c 1
Cell volume: 398.07
Cell parameters: 4.6435; 13.4512; 6.4767; 90; 100.258; 90;  

COD ID: 4000256
CIF file Formula: - C2 H3 O5 P Sn -
Comments: Chemistry of Materials (2003)
Space group: P 1 21/n 1
Cell volume: 587.4
Cell parameters: 5.49; 4.89; 21.884; 90; 90.505; 90;  

COD ID: 4000257
CIF file Formula: - C H10 N2 O6 P2 Sn -
Comments: Chemistry of Materials (2003)
Space group: P b c a
Cell volume: 1765.7
Cell parameters: 10.3417; 10.0475; 16.9927; 90; 90; 90;  

COD ID: 4000258
CIF file Formula: - C40 H30 Si -
Comments: Chemistry of Materials (2003)
Space group: P -1
Cell volume: 1435.9
Cell parameters: 9.527; 10.043; 16.308; 77.15; 79.58; 71.981;  

COD ID: 4000259
CIF file Formula: - C36 H26 Si -
Comments: Chemistry of Materials (2003)
Space group: P 1 21/c 1
Cell volume: 2782.5
Cell parameters: 18.5005; 7.5768; 21.7704; 90; 114.243; 90;  

COD ID: 4000260
CIF file Formula: - C44 H30 Si -
Comments: Chemistry of Materials (2003)
Space group: P 1 21/c 1
Cell volume: 3241.5
Cell parameters: 10.792; 30.856; 11.13; 90; 119; 90;  

COD ID: 4000261
CIF file Formula: - C10 H16 Cl4 Cu Hg3 N6 -
Comments: Draper, Neil D.; Batchelor, Raymond J. ; Sih, Bryan C. ; Ye, Zuo-Guang ; Leznoff, Daniel (N,N,N',N'-tetramethylethylenediamine)bis-(dicyanomercury)copper(II) tetrachloromercurate(II) Chemistry of Materials (2003)
Space group: P -4 21 m
Cell volume: 1182.87
Cell parameters: 10.9576; 10.9576; 9.8516; 90; 90; 90;  

COD ID: 4000262
CIF file Formula: - Li O12 P3 Zr2 -
Comments: Catti, M.; Comotti, A.; Di Blas, S. High-Temperature Lithium Mobility in alpha-LiZr~2~(PO~4)~3 NASICON by Neutron Diffraction Chemistry of Materials (2003)
Space group: R -3 c :H
Cell volume: 1503.69
Cell parameters: 8.854896; 8.854897; 22.14417; 90; 90; 120;  

COD ID: 4000263
CIF file Formula: - Li O12 P3 Zr2 -
Comments: Chemistry of Materials (2003)
Space group: R -3 c :H
Cell volume: 1509.86
Cell parameters: 8.844483; 8.844483; 22.28754; 90; 90; 120;  

COD ID: 4000264
CIF file Formula: - C8 H18 Fe3 N3 O20 P3 -
Comments: Chemistry of Materials (2003)
Space group: P -1
Cell volume: 1008.66
Cell parameters: 9.6367; 10.176; 12.6164; 86.302; 68.88; 61.8;  

COD ID: 4000265
CIF file Formula: - B Fe O4 Pb -
Comments: Chemistry of Materials (2003)
Space group: P n m a
Cell volume: 347.03
Cell parameters: 7.0089; 5.9412; 8.3339; 90; 90; 90;  

COD ID: 4000266
CIF file Formula: - B Mn O4 Pb -
Comments: Chemistry of Materials (2003)
Space group: P n m a
Cell volume: 344.41
Cell parameters: 6.7062; 5.9429; 8.6418; 90; 90; 90;  

COD ID: 4000267
CIF file Formula: - C4 H14 Al2 N2 O14.4154 P3 -
Comments: Chemistry of Materials (2003)
Space group: P -1
Cell volume: 787.91
Cell parameters: 8.611; 9.096; 11.371; 104.811; 111.368; 94.248;  

COD ID: 4000268
CIF file Formula: - C9 H12 N2 O4 -
Comments: Chemistry of Materials (2003)
Space group: C 1 c 1
Cell volume: 1067.3
Cell parameters: 14.932; 8.976; 10.1; 90; 127.96; 90;  

COD ID: 4000269
CIF file Formula: - C13 H14 N2 O4 -
Comments: Chemistry of Materials (2003)
Space group: P 1 21/a 1
Cell volume: 2515.8
Cell parameters: 19.176; 5.537; 25.025; 90; 108.77; 90;  

COD ID: 4000270
CIF file Formula: - B5 Ce H7 N O15 -
Comments: Chemistry of Materials (2003)
Space group: P 1 21/n 1
Cell volume: 1072.7
Cell parameters: 6.465; 15.571; 10.656; 90; 90.24; 90;  

COD ID: 4000271
CIF file Formula: - B9 H6 Nd O18 -
Comments: Chemistry of Materials (2003)
Space group: P 1 21/n 1
Cell volume: 1271.6
Cell parameters: 9.871; 16.696; 7.716; 90; 90.12; 90;  

COD ID: 4000272
CIF file Formula: - B5 La O9 -
Comments: LaB5O9 Chemistry of Materials (2003)
Space group: P 1 21/c 1
Cell volume: 593.79
Cell parameters: 6.4418; 11.68883; 8.17062; 90; 105.167; 90;  

COD ID: 4000273
CIF file Formula: - B8 H5 O16 Pr -
Comments: Chemistry of Materials (2003)
Space group: P 1 21/n 1
Cell volume: 1106.3
Cell parameters: 9.86; 14.131; 7.94; 90; 89.79; 90;  

COD ID: 4000274
CIF file Formula: - C12 H16 F12 N2 O6 Ru -
Comments: Chemistry of Materials (2003)
Space group: P b c n
Cell volume: 2132.88
Cell parameters: 17.4585; 9.9702; 12.2534; 90; 90; 90;  

COD ID: 4000275
CIF file Formula: - C16 H20 F12 N2 O2 Ru -
Comments: Chemistry of Materials (2003)
Space group: C 1 2/c 1
Cell volume: 1974.79
Cell parameters: 17.8909; 10.0354; 11.5944; 90; 108.441; 90;  

COD ID: 4000276
CIF file Formula: - C23 H34 F12 N2 O3 Ru -
Comments: Chemistry of Materials (2003)
Space group: P b c a
Cell volume: 5602.51
Cell parameters: 8.5851; 19.8223; 32.9218; 90; 90; 90;  

COD ID: 4000277
CIF file Formula: - C2 H0 F Ga5 N2 O18 P4 -
Comments: Chemistry of Materials (2003)
Space group: P 1 21/n 1
Cell volume: 1746.4
Cell parameters: 14.3753; 11.941; 10.176; 90.037; 91.102; 89.954;  

COD ID: 4000278
CIF file Formula: - C36 H30 O6 W -
Comments: Chemistry of Materials (2003)
Space group: P 1 21/n 1
Cell volume: 3076.7
Cell parameters: 13.702; 16.163; 13.893; 90; 90.39; 90;  

COD ID: 4000279
CIF file Formula: - C18 H18 N O5 -
Comments: Chemistry of Materials (2003)
Space group: P -1
Cell volume: 1635.68
Cell parameters: 9.7834; 11.3596; 15.474; 80.3011; 81.2087; 76.342;  

COD ID: 4000280
CIF file Formula: - C18 H18 N O5 -
Comments: LF336 Chemistry of Materials (2003)
Space group: P b c a
Cell volume: 3310.64
Cell parameters: 16.4458; 6.7793; 29.6942; 90; 90; 90;  

COD ID: 4000281
CIF file Formula: - Bi8.01 K Rb Se13 -
Comments: Chemistry of Materials (2003)
Space group: P 1 21/m 1
Cell volume: 1362.4
Cell parameters: 17.568; 4.1924; 18.499; 90; 90.383; 90;  


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