Crystallography Open Database

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Searching journal of publication like 'Chemistry of Materials' volume of publication is 12

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: 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: 4001896
CIF file Formula: - Li Mn2 O4 -
Comments: Akimoto, Junji; Takahashi, Yasuhiko; Gotoh, Yoshito; Mizuta, Susumu Single crystal X-ray diffraction study of the spinel-type LiMn~2~O~4~ Chemistry of Materials 12(11) (2000) 3246-3248
Space group: F d -3 m :2
Cell volume: 561.17
Cell parameters: 8.2483; 8.2483; 8.2483; 90; 90; 90;  

COD ID: 6000035
CIF file Formula: - Cs2 O15 Si6 Ti -
Comments: Nyman, M.; Bonhomme, F.; Teter, D. M.; Maxwell, R. S.; Gu, B. X.; Wang, L. M.; Ewing, R. C.; Nenoff, T. M. Integrated experimental and computational methods for structure determination and characterization of a new, highly stable cesium silicotitanate phase, Cs~2~TiSi~6~O~15~ (SNL-A) Chemistry of Materials 12 (2000) 3449-3458
Space group: C 1 c 1
Cell volume: 1420.8
Cell parameters: 12.998; 7.5014; 15.156; 90; 105.8; 90;  

COD ID: 6000060
CIF file Formula: - C8 H6 Co2 O6 -
Comments: Huang, Z. L.; Drillon, M.; Masciocchi, N.; Sironi, A.; Zhao, J. T.; Rabu, P.; Panissod, P. Ab-initio xrpd crystal structure and giant hysteretic effect (H-c=5.9 T) of a new hybrid terephthalate-based cobalt(II) magnet Chemistry of Materials 12 (2000) 2805-2812
Space group: C 1 2/m 1
Cell volume: 410.54
Cell parameters: 19.943; 3.2895; 6.2896; 90; 95.746; 90;  

COD ID: 6000074
CIF file Formula: - C8 H12 O22 Pb2 Zr -
Comments: Boudaren, C.; Auffrédic, J. P.; Louër, M.; Louër, D. Synthesis, structure determination from powder diffraction data, and thermal behavior of lead zirconium oaxalate hydrate Pb2Zr(C2O4)(4)center dot nH(2)O (3 < n < 9) Chemistry of Materials 12 (2000) 2324-2333
Space group: C 1 2/c 1
Cell volume: 2160.5
Cell parameters: 9.537; 29.622; 8.9398; 90; 121.19; 90;  

COD ID: 6000102
CIF file Formula: - H25 Na O51 Si12 Sr4 Ti5 -
Comments: Braunbarth, C.; Hillhouse, H. W.; Tsapatsis, M.; Burton, A.; Lobo, R. F.; Jacubinas, R. M.; Kuznicki, S. M. Structure of strontium ion-exchanged ETS-4 microporous molecular sieves Chemistry of Materials 12 (2000) 1857-1865
Space group: C m m m
Cell volume: 1169.43
Cell parameters: 23.1962; 7.2381; 6.9652; 90; 90; 90;  

COD ID: 6000112
CIF file Formula: - Ga10 H38 O83 Si22 Sr5 -
Comments: Lee, Y. J.; Kim, S. J.; Schoonen, M. A. A.; Parise, J. B. Structural and Sr2+ ion exchange studies of gallosilicate TsG-1 Chemistry of Materials 12 (2000) 1597-1603
Space group: P n m a
Cell volume: 1958.56
Cell parameters: 8.6826; 13.8828; 16.2484; 90; 90; 90;  

COD ID: 6000505
CIF file Formula: - C3 H14 F Ga N2 O8 P2 -
Comments: Walton, R. I.; Millange, F.; O'hare, D.; Paulet, C.; Loiseau, T.; Ferey, G. Synthesis, structures, and reactivity of two compounds containing the tancoite-like [Ga(HPO4)(2)F](2-)(infinity) chain Chemistry of Materials 12 (2000) 1977-1984
Space group: P b c m
Cell volume: 1189.38
Cell parameters: 8.642; 19.346; 7.114; 90; 90; 90;  

COD ID: 6000516
CIF file Formula: - F Ga H4 N O4 P -
Comments: Loiseau, T.; Paulet, C.; Simon, N.; Munch, V.; Taulelle, F.; Ferey, G. Hydrothermal synthesis and structural characterization of (NH4)GaPO4F, KTP-type and (NH4)(2)Ga-2(PO4) (HPO4)F-3, pseudo-KTP-type Chemistry of Materials 12(5) (2000) 1393-1399
Space group: P n a 21
Cell volume: 866.6
Cell parameters: 12.9207; 6.44; 10.4147; 90; 90; 90;  

COD ID: 6000517
CIF file Formula: - F3 Ga2 H9 N2 O8 P2 -
Comments: Loiseau, T.; Paulet, C.; Simon, N.; Munch, V.; Taulelle, F.; Ferey, G. Hydrothermal synthesis and structural characterization of (NH4)GaPO4F, KTP-type and (NH4)(2)Ga-2(PO4) (HPO4)F-3, pseudo-KTP-type Chemistry of Materials 12(5) (2000) 1393-1399
Space group: P n a 21
Cell volume: 947.64
Cell parameters: 12.4967; 7.7015; 9.8463; 90; 90; 90;  


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