Crystallography Open Database
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COD ID  |
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Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1519362 | CIF | C64.5 H85 N2 O5 Yb | P 1 21/n 1 | 13.106; 19.8031; 24.2374 90; 103.093; 90 | 6127 | Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide Catal. Sci. Technol., 2015, 5, 3302 |
| 1519363 | CIF | C73 H105 N2 O8 Y | P 1 21/c 1 | 10.8744; 29.9882; 21.5416 90; 99.001; 90 | 6938.3 | Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide Catal. Sci. Technol., 2015, 5, 3302 |
| 1519364 | CIF | C73 H105 N2 Nd O8 | P 1 21/c 1 | 10.8719; 30.0322; 21.6152 90; 99.151; 90 | 6967.7 | Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide Catal. Sci. Technol., 2015, 5, 3302 |
| 1519365 | CIF | C52 H76 N3 O4 Si2 Yb | P 1 21/n 1 | 17.715; 14.656; 20.41 90; 98.17; 90 | 5245 | Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide Catal. Sci. Technol., 2015, 5, 3302 |
| 1519366 | CIF | C52 H76 N3 O4 Si2 Y | P 1 21/n 1 | 17.6572; 14.6349; 20.3043 90; 98.333; 90 | 5191.5 | Cui, Yu; Gu, Weikai; Wang, Yaorong; Zhao, Bei; Yao, Yingming; Shen, Qi Synthesis and characterization of rare-earth metal complexes supported by a new pentadentate Schiff base and their application in heteroselective polymerization of rac-lactide Catal. Sci. Technol., 2015, 5, 3302 |
| 1519632 | CIF | C15 H12 Mo O3 | P b c a | 16.6109; 8.7885; 17.8015 90; 90; 90 | 2598.75 | Graser, Lilian; Reich, Robert M.; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz E. Aryl-substituted organomolybdenum(ii) complexes as olefin epoxidation catalysts Catal. Sci. Technol., 2015, 5, 4772 |
| 1519633 | CIF | C15 H7 F5 Mo O3 | P 1 21/n 1 | 8.1106; 14.7261; 12.4891 90; 100.409; 90 | 1467.12 | Graser, Lilian; Reich, Robert M.; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz E. Aryl-substituted organomolybdenum(ii) complexes as olefin epoxidation catalysts Catal. Sci. Technol., 2015, 5, 4772 |
| 1519699 | CIF | C40 H46 Cl8 Co5 N18 | P -1 | 11.5936; 11.9201; 12.1223 63.593; 88.025; 67.331 | 1365.41 | Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole) RSC Advances, 2015, 5, 48596-48606 |
| 1519700 | CIF | C30.5 H18 Co3 N8 O8.5 | P -1 | 9.2529; 10.6355; 11.0493 63.622; 86.489; 74.907 | 938.7 | Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole) RSC Advances, 2015, 5, 48596-48606 |
| 1519701 | CIF | C28 H22 Co N16 O2 | P 1 21/n 1 | 9.2567; 15.269; 10.2578 90; 96.72; 90 | 1439.9 | Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole) RSC Advances, 2015, 5, 48596-48606 |
| 1519702 | CIF | C28 H22 N16 Ni O2 | P 1 21/n 1 | 9.1787; 15.2181; 10.3355 90; 96.657; 90 | 1434 | Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole) RSC Advances, 2015, 5, 48596-48606 |
| 1519703 | CIF | C14 H8 Cu2 N8 O | P b c n | 14.6978; 19.3933; 10.356 90; 90; 90 | 2951.9 | Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole) RSC Advances, 2015, 5, 48596-48606 |
| 1519704 | CIF | C14 H16 Mn N8 O4 | I 41/a c d | 19.1314; 19.1314; 20.6667 90; 90; 90 | 7564.2 | Yao, Peng-Fei; Li, Hai-Ye; Huang, Fu-Ping; Yu, Qing; Qin, Xao-Huan; Tang, Jie; Tao, Ye; Bian, He-Dong A series of multidimensional MOFs incorporating a new N-heterocyclic building block: 5,5′-di(pyridin-4-yl)-3,3′-bi(1,2,4-triazole) RSC Advances, 2015, 5, 48596-48606 |
| 1520028 | CIF | C7 H6 Br N O | P 1 21/c 1 | 16.189; 4.6448; 9.8821 90; 92.866; 90 | 742.15 | Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol., 2015, 5, 3822 |
| 1520029 | CIF | C7 H6 Br N O | P 1 21/n 1 | 5.0263; 10.9683; 13.3113 90; 93.465; 90 | 732.51 | Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol., 2015, 5, 3822 |
| 1520030 | CIF | C22 H16 N2 O2 | P 1 21/n 1 | 9.3024; 8.3301; 21.227 90; 94.1; 90 | 1640.7 | Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol., 2015, 5, 3822 |
| 1520031 | CIF | C22 H12 N2 | P 1 21/c 1 | 12.3869; 7.756; 16.0899 90; 95.514; 90 | 1538.65 | Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol., 2015, 5, 3822 |
| 1520032 | CIF | C22 H12 N2 | P 1 21 1 | 7.874; 7.9775; 12.3173 90; 92.715; 90 | 772.84 | Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol., 2015, 5, 3822 |
| 1520033 | CIF | C28 H23 O P | P 21 21 21 | 7.9622; 12.3209; 21.0198 90; 90; 90 | 2062.07 | Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol., 2015, 5, 3822 |
| 1520034 | CIF | C7 H6 Br N O | P 1 21/c 1 | 4.92; 5.3316; 27.538 90; 93.562; 90 | 721 | Gulyás, Henrik; Rivilla, Ivan; Curreli, Simona; Freixa, Zoraida; van Leeuwen, Piet W. N. M. Highly active, chemo- and enantioselective Pt-SPO catalytic systems for the synthesis of aromatic carboxamides Catal. Sci. Technol., 2015, 5, 3822 |
| 1520261 | CIF | C20 H20 Cl F N4 O3 | P n a 21 | 22.318; 10.108; 9.029 90; 90; 90 | 2036.9 | Areias, L. R. P.; Ruivo, E. F. P.; Gonçalves, L. M.; Duarte, M. T.; André, V.; Moreira, R.; Lucas, S. D.; Guedes, R. C. A unified approach toward the rational design of selective low nanomolar human neutrophil elastase inhibitors RSC Advances, 2015, 5, 51717-51721 |
| 1520262 | CIF | C14 H18 N2 O4 S | P 21 21 21 | 6.702; 11.902; 18.892 90; 90; 90 | 1507 | Areias, L. R. P.; Ruivo, E. F. P.; Gonçalves, L. M.; Duarte, M. T.; André, V.; Moreira, R.; Lucas, S. D.; Guedes, R. C. A unified approach toward the rational design of selective low nanomolar human neutrophil elastase inhibitors RSC Advances, 2015, 5, 51717-51721 |
| 1520263 | CIF | C16 H18 N4 O2 S | P 1 21 1 | 8.2251; 10.3695; 9.9358 90; 94.251; 90 | 845.095 | Deshpande, Sudhindra H.; Shende, Vaishali S.; Shingote, Savita K.; Chakravarty, Debamitra; Puranik, Vedavati G.; Chaudhari, Raghunath V.; Kelkar, Ashutosh A. Rhodium complex with unsymmetrical vicinal diamine ligand: excellent catalyst for asymmetric transfer hydrogenation of ketones RSC Advances, 2015, 5, 51722-51729 |
| 1520321 | CIF | B Ga O3 | R -3 c :H | 4.5659; 4.5659; 14.1764 90; 90; 120 | 255.947 | Wang, Shichao; Ye, Ning; Poeppelmeier, Kenneth Flux Growth and Crystal Structure Refinement of Calcite Type Borate GaBO3 Crystals, 2015, 5, 252 |
| 1520578 | CIF | C56 H57 Cu3 N38 O22.5 | P -1 | 14.1016; 14.4022; 20.4554 94.939; 95.386; 119.157 | 3570.2 | Palomas, David; Kalamaras, Christos; Haycock, Peter; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R. Re-evaluating selectivity as a determining factor in peroxidative methane oxidation by multimetallic copper complexes Catal. Sci. Technol., 2015, 5, 4108 |
| 1520579 | CIF | C24 H52 B6 Cu4 F8 N4 O17 | C 1 2/c 1 | 14.4651; 19.3815; 14.1054 90; 90.991; 90 | 3953.9 | Palomas, David; Kalamaras, Christos; Haycock, Peter; White, Andrew J. P.; Hellgardt, Klaus; Horton, Andrew; Crimmin, Mark R. Re-evaluating selectivity as a determining factor in peroxidative methane oxidation by multimetallic copper complexes Catal. Sci. Technol., 2015, 5, 4108 |
| 1520736 | CIF | C16 H16 N2 O S | P 21 21 21 | 7.2412; 10.1066; 19.681 90; 90; 90 | 1440.33 | Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones – experimental and theoretical studies Catal. Sci. Technol., 2015, 5, 4790 |
| 1520737 | CIF | C14 H14 N2 O S2 | P 21 21 21 | 7.1805; 9.8395; 19.6096 90; 90; 90 | 1385.47 | Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones – experimental and theoretical studies Catal. Sci. Technol., 2015, 5, 4790 |
| 1520738 | CIF | C24 H25 Cl2 N3 O Ru S | P 21 21 21 | 10.0568; 14.9314; 16.7695 90; 90; 90 | 2518.1 | Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies Catal. Sci. Technol., 2015, 5, 4790 |
| 1520739 | CIF | C20 H20 Cl2 N2 O Ru S2 | P 21 21 21 | 6.6174; 17.1016; 19.4048 90; 90; 90 | 2196 | Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies Catal. Sci. Technol., 2015, 5, 4790 |
| 1520740 | CIF | C20 H20 Cl2 N2 O2 Ru S | P 21 21 21 | 6.503; 10.2867; 31.8305 90; 90; 90 | 2129.28 | Mary Sheeba, Mani; Preethi, Sankaranarayanan; Nijamudheen, A.; Muthu Tamizh, Manoharan; Datta, Ayan; Farrugia, Louis J.; Karvembu, Ramasamy Half-sandwich Ru(η6-C6H6) complexes with chiral aroylthioureas for enhanced asymmetric transfer hydrogenation of ketones ‒ experimental and theoretical studies Catal. Sci. Technol., 2015, 5, 4790 |
| 1521275 | CIF | C24 H43 Ir O2 P2 | P -1 | 8.5336; 11.7835; 13.3762 100.381; 95.958; 103.944 | 1268.7 | Rimoldi, M.; Fodor, D.; van Bokhoven, J. A.; Mezzetti, A. Catalytic hydrogenation of liquid alkenes with a silica-grafted hydride pincer iridium(iii) complex: support for a heterogeneous mechanism Catal. Sci. Technol., 2015, 5, 4575 |
| 1521276 | CIF | C25 H45 Ir O2 P2 | P 1 21/c 1 | 16.2181; 10.735; 15.8712 90; 107.894; 90 | 2629.5 | Rimoldi, M.; Fodor, D.; van Bokhoven, J. A.; Mezzetti, A. Catalytic hydrogenation of liquid alkenes with a silica-grafted hydride pincer iridium(iii) complex: support for a heterogeneous mechanism Catal. Sci. Technol., 2015, 5, 4575 |
| 1521427 | CIF | Bi5 Fe O15 Ti3 | A 21 a m | 5.4677; 5.4396; 41.2475 90; 90; 90 | 1226.79 | Ko, T.-Y.; Jun, C.-H.; Lee, J.-S. A combined Rietveld refinement on the crystal structure of a magnetoelectric Aurivillius phase Bi5 Ti3 Fe O15 using neutron and X-ray powder diffraction The Korean Journal of Ceramics, 1999, 5, 341-347 |
| 1522280 | CIF | Fe23 Y6 | F m -3 m | 12.12; 12.12; 12.12 90; 90; 90 | 1780.36 | Kripyakevich, P.I.; Frankevich, D.P.; Voroshilov, Yu.V. Compounds with Th6 Mn23-type structures in alloys of the rare-earth metals with manganese and iron Poroshkovaya Metallurgiya, 1965, 5, 55-61 |
| 1522284 | CIF | Ho6 Mn23 | F m -3 m | 12.34; 12.34; 12.34 90; 90; 90 | 1879.08 | Kripyakevich, P.I.; Frankevich, D.P.; Voroshilov, Yu.V. Compounds with Th6 Mn23-type structures in alloys of the rare-earth metals with manganese and iron Poroshkovaya Metallurgiya, 1965, 5, 55-61 |
| 1522565 | CIF | Fe0.95 Sb0.05 | I m -3 m | 2.9; 2.9; 2.9 90; 90; 90 | 24.389 | Nageswararao, M.; McMahon, C.J.jr.; Herman, H. The solubility and solution behavior of antimony and tin in alpha-iron and the effects of nickel and chromium additions Metallurgical Transactions, 1974, 5, 1061-1068 |
| 1522789 | CIF | Hf | I m -3 m | 3.61; 3.61; 3.61 90; 90; 90 | 47.046 | Ross, R.G.; Hume-Rothery, W. A study of some binary hafnium compounds Journal of the Less-Common Metals, 1963, 5, 258-270 |
| 1523002 | CIF | Rh2 Th | P 63/m m c | 4.629; 4.629; 5.849 90; 90; 120 | 108.539 | Thomson, J.R. Alloys of thorium with certain transition metals. I. The system thorium-rhodium Journal of the Less-Common Metals, 1963, 5, 437-442 |
| 1523034 | CIF | C4 H8 Fe N6 S4 | P -1 | 10.114; 7.662; 3.897 105; 81.8; 96.4 | 287.84 | Valle, G.; Russo, U.; Calogero, S. The crystal and molecular structure of bis(thiourea)iron(II) thiocyanate Transition Metal Chemistry, 1980, 5, 26-29 |
| 1523039 | CIF | Pd V3 | P m -3 n | 4.828; 4.828; 4.828 90; 90; 90 | 112.539 | Vielhaber, E.; Luo, H.L. New A15-phases Solid State Communications, 1967, 5, 221-223 |
| 1523040 | CIF | Tl0.8 Zr3.2 | P m -3 n | 5.626; 5.626; 5.626 90; 90; 90 | 178.073 | Vielhaber, E.; Luo, H.L. New A15 phases Solid State Communications, 1967, 5, 221-223 |
| 1523041 | CIF | Hg Ti3 | P m -3 n | 5.187; 5.187; 5.187 90; 90; 90 | 139.556 | Vielhaber, E.; Luo, H.L. New A15-phases Solid State Communications, 1967, 5, 221-223 |
| 1523188 | CIF | Ni Zn | I 4/m m m | 2.756; 2.756; 3.1927 90; 90; 90 | 24.25 | Anantatmula, R.P.; Masson, D.B. Thermodynamic properties of solid Ni-Zn alloys by atomic absorption Metallurgical Transactions, 1974, 5, 605-613 |
| 1523225 | CIF | Gd0.022 Yb0.978 | F m -3 m | 5.472; 5.472; 5.472 90; 90; 90 | 163.847 | Beaudry, B.J.; Spedding, F.H. The Gd-Yb and Lu-Yb systems Metallurgical Transactions, 1974, 5, 1631-1636 |
| 1523440 | CIF | Ni Tc | P 63/m m c | 2.625; 2.625; 4.238 90; 90; 120 | 25.29 | Darby, J.B.jr.; Norton, L.J.; Downey, J.W. A survey of the binary systems of technetium with group VIII transition elements Journal of the Less-Common Metals, 1963, 5, 397-402 |
| 1523441 | CIF | Ir Tc | P 63/m m c | 2.74; 2.74; 4.34 90; 90; 120 | 28.218 | Darby, J.B.jr.; Norton, L.J.; Downey, J.W. A survey of the binary systems of technetium with group VIII transition elements Journal of the Less-Common Metals, 1963, 5, 397-402 |
| 1523713 | CIF | Ge1.75 La | I m m a | 4.41; 4.3; 14.19 90; 90; 90 | 269.085 | Gladyshevskii, E.I. Crystal structure of the digermanide of rare earth elements Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1964, 5, 568-575 |
| 1524030 | CIF | Co22.99 Cr15.01 W15 | R -3 :H | 10.8819; 10.8819; 19.2366 90; 90; 120 | 1972.73 | Barrows, R.G.; Newkirk, J.B. Phase equilibria in the Co-Cr-W system with special emphasis on the R-phase Metallography, 1972, 5, 515-541 |
| 1524094 | CIF | Co2 Ga Ti | F m -3 m | 5.844; 5.844; 5.844 90; 90; 90 | 199.586 | Booth, J.G.; Pritchard, R.G. Stuctural and magnetic properties of Co2 Ga2-x Tix alloys Journal of Physics F, 1975, 5, 347-358 |
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