Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7200687 | CIF | Ca0.999 D1.82 Na0.001 | P n m a | 5.94558; 3.59194; 6.79917 90; 90; 90 | 145.204 | Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T. S. Structural and electrical properties of calcium and strontium hydrides Journal of Materials Chemistry, 2009, 19, 2766 |
| 7200688 | CIF | D2 Sr | P n m a | 6.3673; 3.86291; 7.30892 90; 90; 90 | 179.772 | Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T. S. Structural and electrical properties of calcium and strontium hydrides Journal of Materials Chemistry, 2009, 19, 2766 |
| 7200689 | CIF | O Sr | F m -3 m | 5.16132; 5.16132; 5.16132 90; 90; 90 | 137.494 | Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T. S. Structural and electrical properties of calcium and strontium hydrides Journal of Materials Chemistry, 2009, 19, 2766 |
| 7200690 | CIF | D1.87 Na0.001 Sr0.999 | P n m a | 6.36729; 3.86346; 7.30807 90; 90; 90 | 179.777 | Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T. S. Structural and electrical properties of calcium and strontium hydrides Journal of Materials Chemistry, 2009, 19, 2766 |
| 7200695 | CIF | C20 H23 N5 O | C 1 2/c 1 | 14.389; 18.111; 15.87 90; 94.301; 90 | 4124 | Wang, Ruiyao; Pellerin, Christian; Lebel, Olivier Role of hydrogen bonding in the formation of glasses by small molecules: a triazine case study Journal of Materials Chemistry, 2009, 19, 2747 |
| 7200696 | CIF | C20 H21 N3 O3 | P -1 | 8.4082; 15.0816; 16.0829 100.491; 100.368; 106.073 | 1868.8 | Wang, Ruiyao; Pellerin, Christian; Lebel, Olivier Role of hydrogen bonding in the formation of glasses by small molecules: a triazine case study Journal of Materials Chemistry, 2009, 19, 2747 |
| 7200697 | CIF | C20 H20 Cl N5.5 | P 1 21/m 1 | 5.9733; 30.794; 10.4696 90; 96.178; 90 | 1914.6 | Wang, Ruiyao; Pellerin, Christian; Lebel, Olivier Role of hydrogen bonding in the formation of glasses by small molecules: a triazine case study Journal of Materials Chemistry, 2009, 19, 2747 |
| 7200752 | CIF | C21 H21 Cl2 N O6 | P 1 21/c 1 | 12.3962; 14.12; 13.92 90; 114.759; 90 | 2212.5 | Hwu, Jih Ru; Hsu, Yung Chang; Josephrajan, Thainashmuthu; Tsay, Shwu-Chen Fine tuning of blue photoluminescence from indoles for device fabrication Journal of Materials Chemistry, 2009, 19, 3084 |
| 7200761 | CIF | ? | P 1 | 13.30701; 23.74339; 7.91702 90; 90.0001; 89.9999 | 2501.41 | Gracia, J.; Kroll, P. Corrugated layered heptazine-based carbon nitride: the lowest energy modifications of C3N4 ground state Journal of Materials Chemistry, 2009, 19, 3013 |
| 7200798 | CIF | ? | P 1 | 7.6113; 15.303268; 50 90; 90; 90.2618 | 5823.83 | Iozzi, Maria Francesca; Bisio, Chiara; Regi-Macedo, Thais; Airoldi, Claudio; Cossi, Maurizio; Marchese, Leonardo Structural changes induced by dehydration in the crystalline layered silicate Na-RUB-18: a computational/experimental combined study Journal of Materials Chemistry, 2009, 19, 2610 |
| 7200799 | CIF | ? | P 1 | 7.62564; 15.381577; 50 90; 90; 90.1302 | 5864.7 | Iozzi, Maria Francesca; Bisio, Chiara; Regi-Macedo, Thais; Airoldi, Claudio; Cossi, Maurizio; Marchese, Leonardo Structural changes induced by dehydration in the crystalline layered silicate Na-RUB-18: a computational/experimental combined study Journal of Materials Chemistry, 2009, 19, 2610 |
| 7200829 | CIF | C28 H47 N O3 | P 1 21 1 | 7.7818; 4.9567; 34.4265 90; 91.993; 90 | 1327.1 | Bastiat, Guillaume; Leroux, Jean-Christophe Pharmaceutical organogels prepared from aromatic amino acid derivatives Journal of Materials Chemistry, 2009, 19, 3867 |
| 7200830 | CIF | C28 H47 N O4 | P 1 21 1 | 7.7987; 4.9374; 34.757 90; 93.642; 90 | 1335.63 | Bastiat, Guillaume; Leroux, Jean-Christophe Pharmaceutical organogels prepared from aromatic amino acid derivatives Journal of Materials Chemistry, 2009, 19, 3867 |
| 7200847 | CIF | C20 H16 Cl2 N4 O S6 | P 1 21/n 1 | 11.8333; 5.1318; 40.565 90; 93.54; 90 | 2458.7 | Danila, Ion; Riobé, François; Puigmartí-Luis, Josep; Pérez del Pino, Ángel; Wallis, John D.; Amabilino, David B.; Avarvari, Narcis Supramolecular electroactive organogel and conducting nanofibers with C3-symmetrical architectures Journal of Materials Chemistry, 2009, 19, 4495 |
| 7200859 | CIF | C8 H8 Br2 O2 S | P b c a | 8.7321; 14.2816; 16.6582 90; 90; 90 | 2077.42 | Lepeltier, Marc; Hiltz, Jonathan; Lockwood, Tobias; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F. Towards crystal engineering of solid-state polymerization in dibromothiophenes Journal of Materials Chemistry, 2009, 19, 5167 |
| 7200860 | CIF | C8 H6 Br2 O3 S | P b c a | 7.3511; 12.1366; 21.9075 90; 90; 90 | 1954.53 | Lepeltier, Marc; Hiltz, Jonathan; Lockwood, Tobias; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F. Towards crystal engineering of solid-state polymerization in dibromothiophenes Journal of Materials Chemistry, 2009, 19, 5167 |
| 7200861 | CIF | C8 H6 Br2 O2 S2 | P b c a | 9.3142; 11.3466; 19.4858 90; 90; 90 | 2059.35 | Lepeltier, Marc; Hiltz, Jonathan; Lockwood, Tobias; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F. Towards crystal engineering of solid-state polymerization in dibromothiophenes Journal of Materials Chemistry, 2009, 19, 5167 |
| 7200874 | CIF | C23 H36 Cu N2 O4 | P 21 21 21 | 11.0626; 12.0807; 16.4661 90; 90; 90 | 2200.59 | Jana, Satyasankar; Cormack, Peter A. G.; Kennedy, Alan R.; Sherrington, David C. Synthesis of main chain chiral methacrylate copolymers via chirality transfer from polymerizable chiral metal complexes Journal of Materials Chemistry, 2009, 19, 3427 |
| 7200875 | CIF | C36 H48 Cu2 N4 O8 | P 1 | 9.5553; 9.6147; 11.1816 104.235; 107.076; 96.8 | 931.47 | Jana, Satyasankar; Cormack, Peter A. G.; Kennedy, Alan R.; Sherrington, David C. Synthesis of main chain chiral methacrylate copolymers via chirality transfer from polymerizable chiral metal complexes Journal of Materials Chemistry, 2009, 19, 3427 |
| 7200876 | CIF | C33 H40 N2 O4 Zn | P 1 21 1 | 8.617; 12.0528; 13.793 90; 90.446; 90 | 1432.48 | Jana, Satyasankar; Cormack, Peter A. G.; Kennedy, Alan R.; Sherrington, David C. Synthesis of main chain chiral methacrylate copolymers via chirality transfer from polymerizable chiral metal complexes Journal of Materials Chemistry, 2009, 19, 3427 |
| 7200877 | CIF | C13 H24 N2 O5 Zn | C 1 2 1 | 18.5904; 8.5393; 22.3795 90; 106.848; 90 | 3400.23 | Jana, Satyasankar; Cormack, Peter A. G.; Kennedy, Alan R.; Sherrington, David C. Synthesis of main chain chiral methacrylate copolymers via chirality transfer from polymerizable chiral metal complexes Journal of Materials Chemistry, 2009, 19, 3427 |
| 7200878 | CIF | C23 H36 N2 O4 Zn | P 1 21 1 | 14.1674; 11.491; 14.8774 90; 113.205; 90 | 2226.07 | Jana, Satyasankar; Cormack, Peter A. G.; Kennedy, Alan R.; Sherrington, David C. Synthesis of main chain chiral methacrylate copolymers via chirality transfer from polymerizable chiral metal complexes Journal of Materials Chemistry, 2009, 19, 3427 |
| 7200879 | CIF | C21 H32 N2 O4 Zn | P 21 21 21 | 7.7634; 10.9958; 24.578 90; 90; 90 | 2098.1 | Jana, Satyasankar; Cormack, Peter A. G.; Kennedy, Alan R.; Sherrington, David C. Synthesis of main chain chiral methacrylate copolymers via chirality transfer from polymerizable chiral metal complexes Journal of Materials Chemistry, 2009, 19, 3427 |
| 7200911 | CIF | C14 H10 Cl4 Fe O2 S7 | P -1 | 7.5213; 9.2047; 17.545 100.384; 95.2384; 108.584 | 1117.96 | Shao, Xiangfeng; Yamaji, Yuhta; Sugimoto, Toyonari Antiferromagnetic ordering of the FeBr4− d-spins via strong π‒d interaction in a semiconducting EDT-CP-TTFVS·FeBr4 salt Journal of Materials Chemistry, 2009, 19, 3688 |
| 7200912 | CIF | C14 H10 Br4 Fe O2 S7 | P -1 | 7.614; 9.4388; 17.891 101.101; 95.706; 107.744 | 1184.4 | Shao, Xiangfeng; Yamaji, Yuhta; Sugimoto, Toyonari Antiferromagnetic ordering of the FeBr4− d-spins via strong π‒d interaction in a semiconducting EDT-CP-TTFVS·FeBr4 salt Journal of Materials Chemistry, 2009, 19, 3688 |
| 7200913 | CIF | C14 H10 Cl4 Fe S9 | P -1 | 7.8147; 8.7364; 19.3695 97.651; 99.32; 111.723 | 1185.1 | Shao, Xiangfeng; Yamaji, Yuhta; Sugimoto, Toyonari Antiferromagnetic ordering of the FeBr4− d-spins via strong π‒d interaction in a semiconducting EDT-CP-TTFVS·FeBr4 salt Journal of Materials Chemistry, 2009, 19, 3688 |
| 7200914 | CIF | C14 H10 Br4 Fe S9 | P -1 | 7.8986; 8.9341; 19.626 97.549; 99.3134; 111.839 | 1240.55 | Shao, Xiangfeng; Yamaji, Yuhta; Sugimoto, Toyonari Antiferromagnetic ordering of the FeBr4− d-spins via strong π‒d interaction in a semiconducting EDT-CP-TTFVS·FeBr4 salt Journal of Materials Chemistry, 2009, 19, 3688 |
| 7200916 | CIF | C52 H68.9 Cl O20.45 Ru2 | P -1 | 12.7209; 14.6283; 16.413 90.34; 90.874; 100.198 | 3005.5 | Chaia, Zulema D.; Rusjan, Marcia C.; Castro, Maria Ana; Donnio, Bertrand; Heinrich, Benoit; Guillon, Daniel; Baggio, Ricardo F.; Cukiernik, Fabio D. Supramolecular architecture elucidation of the room temperature columnar mesophases exhibited by mixed-valent diruthenium alkoxybenzoates Journal of Materials Chemistry, 2009, 19, 4981 |
| 7200919 | CIF | C28 H24 F8 N18 O14 Zn5 | P -1 | 10.137; 10.228; 12.747 74.562; 83.796; 60.952 | 1113.3 | Hulvey, Zeric; Falcao, Eduardo H. L.; Eckert, Juergen; Cheetham, Anthony K. Enhanced H2 adsorption enthalpy in the low-surface area, partially fluorinated coordination polymer Zn5(triazole)6(tetrafluoroterephthalate)2(H2O)2·4H2O Journal of Materials Chemistry, 2009, 19, 4307 |
| 7200922 | CIF | C18 H10 F2 N2 O4 | P 1 21/n 1 | 12.318; 3.8374; 16.385 90; 104.675; 90 | 749.2 | Horiuchi, Sachio; Kumai, Reiji; Tokura, Yoshinori Proton-displacive ferroelectricity in neutral cocrystals of anilic acids with phenazine Journal of Materials Chemistry, 2009, 19, 4421 |
| 7200923 | CIF | C18 H10 F2 N2 O4 | P -1 | 4.0812; 8.938; 11.581 73.07; 78.91; 79.57 | 393.1 | Horiuchi, Sachio; Kumai, Reiji; Tokura, Yoshinori Proton-displacive ferroelectricity in neutral cocrystals of anilic acids with phenazine Journal of Materials Chemistry, 2009, 19, 4421 |
| 7200924 | CIF | C18 H10 Br2 N2 O4 | P 1 21/c 1 | 12.299; 4.8114; 15.153 90; 107.604; 90 | 854.7 | Horiuchi, Sachio; Kumai, Reiji; Tokura, Yoshinori Proton-displacive ferroelectricity in neutral cocrystals of anilic acids with phenazine Journal of Materials Chemistry, 2009, 19, 4421 |
| 7200925 | CIF | C18 H10 I2 N2 O4 | P 1 21/c 1 | 12.3; 4.9829; 15.271 90; 106.939; 90 | 895.3 | Horiuchi, Sachio; Kumai, Reiji; Tokura, Yoshinori Proton-displacive ferroelectricity in neutral cocrystals of anilic acids with phenazine Journal of Materials Chemistry, 2009, 19, 4421 |
| 7200963 | CIF | C42 H33 Cl2 N3 O2 | P 1 21/c 1 | 20.9958; 7.682; 22.6056 90; 113.585; 90 | 3341.5 | Lin, Zhenghuan; Wen, Yuh-Sheng; Chow, Tahsin J. White light-emitting devices with a single emitting layer based on bisindolylmaleimide fluorophores Journal of Materials Chemistry, 2009, 19, 5141 |
| 7200964 | CIF | C42 H28 Cl2 F5 N3 O2 | P 1 21/c 1 | 20.2844; 8.0018; 22.3701 90; 100.289; 90 | 3572.5 | Lin, Zhenghuan; Wen, Yuh-Sheng; Chow, Tahsin J. White light-emitting devices with a single emitting layer based on bisindolylmaleimide fluorophores Journal of Materials Chemistry, 2009, 19, 5141 |
| 7200968 | CIF | C14 H6 Br2 O2 | P -1 | 7.307; 7.976; 11.348 73.87; 77.321; 64.943 | 571.6 | Gautrot, Julien E.; Hodge, Philip; Helliwell, Madeleine; Raftery, James; Cupertino, Domenico Synthesis of electron-accepting polymers containing phenanthra-9,10-quinone units Journal of Materials Chemistry, 2009, 19, 4148 |
| 7200969 | CIF | C14 H6 Br2 O2 | P 1 21/n 1 | 11.683; 7.257; 14.885 90; 109.542; 90 | 1189.3 | Gautrot, Julien E.; Hodge, Philip; Helliwell, Madeleine; Raftery, James; Cupertino, Domenico Synthesis of electron-accepting polymers containing phenanthra-9,10-quinone units Journal of Materials Chemistry, 2009, 19, 4148 |
| 7200981 | CIF | C21 H28 N2 O6 | P 1 | 4.8023; 9.3324; 12.6403 70.868; 80.91; 77.056 | 519.41 | Nagarajan, Subbiah; Mohan Das, Thangamuthu; Arjun, Pandian; Raaman, Nanjian Design, synthesis and gelation studies of 4,6-O-butylidene-α,β-unsaturated-β-C-glycosidic ketones: application to plant tissue culture Journal of Materials Chemistry, 2009, 19, 4587 |
| 7200982 | CIF | C20 H26 O7 | P 1 21 1 | 4.9409; 33.746; 5.7154 90; 101.967; 90 | 932.3 | Nagarajan, Subbiah; Mohan Das, Thangamuthu; Arjun, Pandian; Raaman, Nanjian Design, synthesis and gelation studies of 4,6-O-butylidene-α,β-unsaturated-β-C-glycosidic ketones: application to plant tissue culture Journal of Materials Chemistry, 2009, 19, 4587 |
| 7201000 | CIF | C50 H35 Cl2 N3 | P 1 21/c 1 | 12.5133; 34.5307; 8.9169 90; 100.493; 90 | 3788.5 | Chi, Chih-Chin; Chiang, Chih-Long; Liu, Shun-Wei; Yueh, Han; Chen, Chin-Ti; Chen, Chao-Tsen Achieving high-efficiency non-doped blue organic light-emitting diodes: charge-balance control of bipolar blue fluorescent materials with reduced hole-mobility Journal of Materials Chemistry, 2009, 19, 5561 |
| 7201001 | CIF | C49 H35 N3 | P 1 21/c 1 | 13.1622; 25.6042; 10.9596 90; 107.046; 90 | 3531.2 | Chi, Chih-Chin; Chiang, Chih-Long; Liu, Shun-Wei; Yueh, Han; Chen, Chin-Ti; Chen, Chao-Tsen Achieving high-efficiency non-doped blue organic light-emitting diodes: charge-balance control of bipolar blue fluorescent materials with reduced hole-mobility Journal of Materials Chemistry, 2009, 19, 5561 |
| 7201004 | CIF | C24 H18 O2 | C 1 2/c 1 | 15.495; 11.0758; 10.6108 90; 102.392; 90 | 1778.59 | Thomas, Reji; Varghese, Shinto; Kulkarni, G. U. The influence of crystal packing on the solid state fluorescence behavior of alkyloxy substituted phenyleneethynylenes Journal of Materials Chemistry, 2009, 19, 4401 |
| 7201005 | CIF | C26 H22 O2 | C 1 2/c 1 | 13.0543; 11.0691; 15.2735 90; 109.434; 90 | 2081.27 | Thomas, Reji; Varghese, Shinto; Kulkarni, G. U. The influence of crystal packing on the solid state fluorescence behavior of alkyloxy substituted phenyleneethynylenes Journal of Materials Chemistry, 2009, 19, 4401 |
| 7201006 | CIF | C28 H26 O2 | P 1 21/c 1 | 5.7856; 14.9764; 13.3619 90; 90.112; 90 | 1157.77 | Thomas, Reji; Varghese, Shinto; Kulkarni, G. U. The influence of crystal packing on the solid state fluorescence behavior of alkyloxy substituted phenyleneethynylenes Journal of Materials Chemistry, 2009, 19, 4401 |
| 7201007 | CIF | C30 H30 O2 | P 1 21/n 1 | 6.2637; 21.4804; 9.259 90; 93.187; 90 | 1243.84 | Thomas, Reji; Varghese, Shinto; Kulkarni, G. U. The influence of crystal packing on the solid state fluorescence behavior of alkyloxy substituted phenyleneethynylenes Journal of Materials Chemistry, 2009, 19, 4401 |
| 7201008 | CIF | C32 H34 O2 | P 1 21/n 1 | 6.2298; 22.1029; 10.0247 90; 99.168; 90 | 1362.73 | Thomas, Reji; Varghese, Shinto; Kulkarni, G. U. The influence of crystal packing on the solid state fluorescence behavior of alkyloxy substituted phenyleneethynylenes Journal of Materials Chemistry, 2009, 19, 4401 |
| 7201009 | CIF | C34 H38 O2 | P 1 21/n 1 | 6.297; 22.7824; 10.6411 90; 105.493; 90 | 1471.11 | Thomas, Reji; Varghese, Shinto; Kulkarni, G. U. The influence of crystal packing on the solid state fluorescence behavior of alkyloxy substituted phenyleneethynylenes Journal of Materials Chemistry, 2009, 19, 4401 |
| 7201010 | CIF | C10 H10 O10 S2 Sc2 | P b c a | 5.8209; 10.0529; 24.9876 90; 90; 90 | 1462.2 | Perles, Josefina; Snejko, Natalia; Iglesias, Marta; Monge, M. Ángeles 3D scandium and yttrium arenedisulfonate MOF materials as highly thermally stable bifunctional heterogeneous catalysts Journal of Materials Chemistry, 2009, 19, 6504 |
| 7201011 | CIF | C10 H10 O10 S2 Sc2 | P -1 | 5.2459; 10.8963; 13.2466 86.026; 81.604; 85.685 | 745.64 | Perles, Josefina; Snejko, Natalia; Iglesias, Marta; Monge, M. Ángeles 3D scandium and yttrium arenedisulfonate MOF materials as highly thermally stable bifunctional heterogeneous catalysts Journal of Materials Chemistry, 2009, 19, 6504 |
| 7201012 | CIF | C10 H9 O8 S2 Y | P 1 21/n 1 | 7.6693; 7.8627; 21.0191 90; 91.607; 90 | 1266.98 | Perles, Josefina; Snejko, Natalia; Iglesias, Marta; Monge, M. Ángeles 3D scandium and yttrium arenedisulfonate MOF materials as highly thermally stable bifunctional heterogeneous catalysts Journal of Materials Chemistry, 2009, 19, 6504 |
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