Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1556821 | CIF | C20 H30 Fe | C m c e | 15.0905; 11.4741; 9.9484 90; 90; 90 | 1722.6 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556822 | CIF | C20 H30 Fe | C m c e | 15.0905; 11.4741; 9.9484 90; 90; 90 | 1722.6 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556823 | CIF | C20 H30 Fe | C m c e | 15.119; 11.492; 9.967 90; 90; 90 | 1731.7 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556824 | CIF | C20 H14 | P 21 21 21 | 8.0798; 8.1645; 20.3778 90; 90; 90 | 1344.27 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556825 | CIF | C20 H14 | P 21 21 21 | 8.0798; 8.1645; 20.3778 90; 90; 90 | 1344.27 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556826 | CIF | C20 H14 | P 21 21 21 | 8.1019; 8.1922; 20.442 90; 90; 90 | 1356.8 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556827 | CIF | C20 H14 | P 21 21 21 | 8.08; 8.165; 20.378 90; 90; 90 | 1344.4 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1556828 | CIF | C20 H14 | P 21 21 21 | 8.08; 8.165; 20.378 90; 90; 90 | 1344.4 | Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ, 2016, 3, 61-70 |
| 1561479 | CIF | C30 H25 Cl O Si2 | P 1 21/n 1 | 10.6741; 14.2858; 17.5012 90; 99.597; 90 | 2631.37 | Bauer, Jonathan O.; Götz, Tobias Chloropentaphenyldisiloxane—Model Study on Intermolecular Interactions in the Crystal Structure of a Monofunctionalized Disiloxane Chemistry, 2021, 3, 444-453 |
| 2000117 | CIF | C16 H80 Cd3 Mo12 N4 Na2 O72 P8 | P -1 | 12.34; 12.596; 14.717 107.239; 89.83; 114.313 | 1972.29 | Guesdon, A.; Borel, M. M.; Leclaire, A.; Raveau, B. Two New Closely Related MoV Hydroxymonophosphates Built Up of Cd[Mo~6~P~4~O~25~(OH)~6~]~2~ And Cd[Mo~6~P~4~O~26~(OH)~5~]~2~ Clusters Chemistry - A European Journal, 1997, 3, 1797-1800 |
| 2000118 | CIF | C32 H148 Cd9 Mo24 N8 O139 P16 | P -1 | 11.943; 13.339; 26.765 85.33; 86.87; 64.08 | 3821.36 | Guesdon, A.; Borel, M. M.; Leclaire, A.; Raveau, B. Two New Closely Related MoV Hydroxymonophosphates Built Up of Cd[Mo~6~P~4~O~25~(OH)~6~]~2~ And Cd[Mo~6~P~4~O~26~(OH)~5~]~2~ Clusters Chemistry - A European Journal, 1997, 3, 1797-1800 |
| 2000124 | CIF | C10 H39 F2 Ga6 N6 O30 P7 | P -1 | 10.283; 12.096; 16.911 76.07; 72.38; 65.2 | 1804.07 | Matijasic, Alain; Gramlich, Volker; Patarin, Joël Mu-17: a new member of the gallophosphate family prepared by the fluoride route Solid State Sciences, 2001, 3, 155-167 |
| 2300552 | CIF | Hg In | R -3 m :H | 3.592; 3.592; 13.072 90; 90; 120 | 146.065 | Mascarenhas, Y.P. X-ray diffraction studies of the Hg-In alloy system Journal of Applied Crystallography, 1970, 3, 294-296 |
| 2310087 | CIF | B2 Fe2.6 Mg3.4 O10 | P b a m | 9.14; 12.45; 3.05 90; 90; 90 | 347.069 | Ito, T.; Watanabe, T.; Takeuchi, Y. The crystal structures of warwickite, ludwigite and pinakiolite Acta Crystallographica (1,1948-23,1967), 1950, 3, 98-107 |
| 2310088 | CIF | B2 Mg3 Mn3 O10 | P 1 21/m 1 | 5.36; 5.98; 12.73 90; 120.57; 90 | 351.319 | Watanabe, T.; Ito, T.; Takeuchi, Y. The crystal structures of warwickite, ludwigite and pinakiolite Acta Crystallographica (1,1948-23,1967), 1950, 3, 98-107 |
| 2310165 | CIF | Ni U6 | I 4/m c m | 10.37; 10.37; 5.21 90; 90; 90 | 560.267 | Baenziger, N.C.; Wilson, A.S.; Snow, A.I.; Rundle, R.E. Compounds of uranium with the transition metals of the first long period Acta Crystallographica (1,1948-23,1967), 1950, 3, 34-40 |
| 2310166 | CIF | Ni2 U | P 63/m m c | 4.966; 4.966; 8.252 90; 90; 120 | 176.24 | Baenziger, N.C.; Rundle, R.E.; Wilson, A.S.; Snow, A.I. Compounds of uranium with the transition metals of the first long period Acta Crystallographica (1,1948-23,1967), 1950, 3, 34-40 |
| 2310270 | CIF | Co U | I 21 3 | 6.3557; 6.3557; 6.3557 90; 90; 90 | 256.738 | Baenziger, N.C.; Rundle, R.E.; Snow, A.I.; Wilson, A.S. Compounds of uranium with the transition metals of the first long period Acta Crystallographica (1,1948-23,1967), 1950, 3, 34-40 |
| 2310271 | CIF | Cu5 U | F -4 3 m | 7.033; 7.033; 7.033 90; 90; 90 | 347.874 | Baenziger, N.C.; Wilson, A.S.; Rundle, R.E.; Snow, A.I. Compounds of uranium with the transition metals of the first long period Acta Crystallographica (1,1948-23,1967), 1950, 3, 34-40 |
| 2311065 | CIF | Al0.264 Ba0.47 Fe0.64 H1.414 K0.328 Mn6.952 Na0.11 O16 Pb0.112 Si0.016 | I 4/m | 9.8; 9.8; 2.86 90; 90; 90 | 274.674 | Bystroem, A.; Bystroem, A.M. The crystal structure of hollandite, the related manganese oxide minerals, and alpha-Mn O2 Acta Crystallographica (1,1948-23,1967), 1950, 3, 146-154 |
| 2311075 | CIF | B2 Mg3 O8 Ti | P n a m | 9.2; 9.45; 3.01 90; 90; 90 | 261.689 | Takeuchi, Y.; Ito, T.; Watanabe, T. The crystal structures of warwickite, ludwigite and pinakiolite Acta Crystallographica (1,1948-23,1967), 1950, 3, 98-107 |
| 2311076 | CIF | N2 O5 | P 63/m m c | 5.41; 5.41; 6.57 90; 90; 120 | 166.529 | Grison, E.; Eriks, K.; de Vries, J.L. Structure Cristalline de l'Anhydride Azotique, N2 O5 Acta Crystallographica (1,1948-23,1967), 1950, 3, 290-294 |
| 4029737 | CIF | C16 H11 N O2 S | P 21 21 21 | 5.3485; 7.4424; 33.559 90; 90; 90 | 1335.8 | Singh, Marjit W.; Karmakar, Anirban; Barooah, Nilotpal; Baruah, Jubaraj B. Variations in product in reactions of naphthoquinone with primary amines. Beilstein journal of organic chemistry, 2007, 3, 10 |
| 4029744 | CIF | C16 H12 N2 O2 | P 21 21 21 | 4.3029; 12.249; 23.927 90; 90; 90 | 1261.1 | Singh, Marjit W.; Karmakar, Anirban; Barooah, Nilotpal; Baruah, Jubaraj B. Variations in product in reactions of naphthoquinone with primary amines. Beilstein journal of organic chemistry, 2007, 3, 10 |
| 4029749 | CIF | C16 H11 N O3 | P -1 | 3.8313; 12.5135; 14.2512 112.212; 93.326; 93.864 | 628.52 | Singh, Marjit W.; Karmakar, Anirban; Barooah, Nilotpal; Baruah, Jubaraj B. Variations in product in reactions of naphthoquinone with primary amines. Beilstein journal of organic chemistry, 2007, 3, 10 |
| 4029755 | CIF | C18 H24 N2 O | P -1 | 5.4646; 11.742; 13.204 69.478; 85.113; 85.709 | 789.7 | Singh, Marjit W.; Karmakar, Anirban; Barooah, Nilotpal; Baruah, Jubaraj B. Variations in product in reactions of naphthoquinone with primary amines. Beilstein journal of organic chemistry, 2007, 3, 10 |
| 4029759 | CIF | C24 H14 N2 O3 | P 1 21/c 1 | 11.7463; 9.5792; 17.6727 90; 99.284; 90 | 1962.49 | Singh, Marjit W.; Karmakar, Anirban; Barooah, Nilotpal; Baruah, Jubaraj B. Variations in product in reactions of naphthoquinone with primary amines. Beilstein journal of organic chemistry, 2007, 3, 10 |
| 4029764 | CIF HKL | C21 H26 O7 | P 1 21 1 | 10.5103; 7.5216; 24.079 90; 93.496; 90 | 1900 | Munro, Thomas A.; Duncan, Katharine K.; Staples, Richard J.; Xu, Wei; Liu-Chen, Lee-Yuan; Béguin, Cécile; Carlezon, Jr, William A; Cohen, Bruce M. 8-epi-Salvinorin B: crystal structure and affinity at the kappa opioid receptor. Beilstein journal of organic chemistry, 2007, 3, 1 |
| 4029772 | CIF | C7 H10 N8 O2 | C 1 2/c 1 | 14.3618; 7.5472; 18.9922 90; 91.838; 90 | 2057.5 | Thomas, Reji; Kulkarni, G. U. A hydrogen-bonded channel structure formed by a complex of uracil and melamine. Beilstein journal of organic chemistry, 2007, 3, 17 |
| 4031642 | CIF | Ni3 V Zr2 | F d -3 m :1 | 6.96; 6.96; 6.96 90; 90; 90 | 337.154 | Cherkashin, E.E.; Kripyakevich, P.I.; Gladyshevskii, E.I.; Kuz'ma, Yu.B. X-ray structural analysis of certain systems of transition metals Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii), 1958, 3, 135-141 |
| 4036721 | CIF | C42 H50 N4 O6 | P 1 21 1 | 9.0188; 21.1444; 10.7833 90; 111.097; 90 | 1918.5 | Fang, Lixia; Lv, Caixia; Wang, Guo; Feng, Lei; Stavropoulos, Pericles; Gao, Guangpeng; Ai, Lin; Zhang, Jiaxin Discrimination of Enantiomers of Dipeptide Derivatives with Two Chiral Centers by Tetraaza Macrocyclic Chiral Solvating Agents Using <sup>1</sup>H NMR Spectroscopy. Organic chemistry frontiers : an international journal of organic chemistry, 2016, 3, 1716-1724 |
| 4036722 | CIF | C36 H36 Cl2 N4 O4 | C 1 2 1 | 37.839; 25.19; 13.63 90; 101.307; 90 | 12739 | Fang, Lixia; Lv, Caixia; Wang, Guo; Feng, Lei; Stavropoulos, Pericles; Gao, Guangpeng; Ai, Lin; Zhang, Jiaxin Discrimination of Enantiomers of Dipeptide Derivatives with Two Chiral Centers by Tetraaza Macrocyclic Chiral Solvating Agents Using <sup>1</sup>H NMR Spectroscopy. Organic chemistry frontiers : an international journal of organic chemistry, 2016, 3, 1716-1724 |
| 4036723 | CIF | C37 H36 Br2 Cl3 D N4 O4 | P 43 | 13.811; 13.811; 20.076 90; 90; 90 | 3829.4 | Fang, Lixia; Lv, Caixia; Wang, Guo; Feng, Lei; Stavropoulos, Pericles; Gao, Guangpeng; Ai, Lin; Zhang, Jiaxin Discrimination of Enantiomers of Dipeptide Derivatives with Two Chiral Centers by Tetraaza Macrocyclic Chiral Solvating Agents Using <sup>1</sup>H NMR Spectroscopy. Organic chemistry frontiers : an international journal of organic chemistry, 2016, 3, 1716-1724 |
| 4063076 | CIF | C43 H43 N3 Zr | P -1 | 11.3951; 12.6564; 14.1142 83.967; 71.381; 69.055 | 1801.5 | Tsurugi, Hayato; Matsuo, Yutaka; Yamagata, Tsuneaki; Mashima, Kazushi Intramolecular Benzylation of an Imino Group of Tridentate 2,5-Bis(N-aryliminomethyl)pyrrolyl Ligands Bound to Zirconium and Hafnium Gives Amido-Pyrrolyl Complexes That Catalyze Ethylene Polymerization Organometallics, 2004, 3, 2797-2805 |
| 4063077 | CIF | C51 H59 N3 Zr | P 1 21/c 1 | 15.3212; 13.2839; 22.0592 90; 98.9295; 90 | 4435.21 | Tsurugi, Hayato; Matsuo, Yutaka; Yamagata, Tsuneaki; Mashima, Kazushi Intramolecular Benzylation of an Imino Group of Tridentate 2,5-Bis(N-aryliminomethyl)pyrrolyl Ligands Bound to Zirconium and Hafnium Gives Amido-Pyrrolyl Complexes That Catalyze Ethylene Polymerization Organometallics, 2004, 3, 2797-2805 |
| 4086214 | CIF | C10 O10 Os3 S | P -1 | 6.912; 9.5; 13.235 82.63; 87.43; 72.3 | 821.067 | Adams, R.D.; Horvath, I.T.; Kim, H.S. Synthesis of ... Cluster Compounds by the Photochemical Decomposition of H Os3 (C O)9 (mue-S Ph) and its Subsequent Reactions with Selected Small Molecules. Synthesis and ... Structure of Os3 (C O)9 (mue3-C O) (mue3-S) Organometallics, 1984, 3, 548-552 |
| 4086215 | CIF | C19 O19 Os6 S | P -1 | 11.119; 11.357; 12.904 104.51; 91.12; 108.8 | 1484.39 | Adams, R.D.; Horvath, I.T.; Mathur, P. Cluster Synthesis. 5. Synthesis and Crystal and Molecular Structures of Os6 (C O)19 (mue3-S) and Os6 (C O)17 (mue4-S) Organometallics, 1984, 3, 623-630 |
| 4086216 | CIF | C17 O17 Os6 S | P n a 21 | 11.371; 16.55; 14.14 90; 90; 90 | 2661.01 | Adams, R.D.; Horvath, I.T.; Mathur, P. Cluster Synthesis. 5. Synthesis and Crystal and Molecular Structures of Os6 (C O)19 (mue3-S) and Os6 (C O)17 (mue4-S) Organometallics, 1984, 3, 623-630 |
| 4343759 | CIF | Cl9 Re3 | R -3 m :H | 10.33; 10.33; 20.36 90; 90; 120 | 1881.52 | Cotton, F.A.; Mague, J.T. The existence of the Re3 Cl9 cluster in anhydrous rhenium(III) chloride and its persistence in solutions of rhenium(III) chloride Inorganic Chemistry, 1964, 3, 1402-1407 |
| 4344185 | CIF | H9 K2 Re | P -6 2 m | 9.607; 9.607; 5.508 90; 90; 120 | 440.251 | Abrahams, S.C.; Ginsberg, A.P.; Knox, K. Transition metal-hydrogen compounds. II. The crystal and molecular structure of potassium rhenium hydride, K2 Re H9 Inorganic Chemistry, 1964, 3, 558-567 |
| 4344314 | CIF | C5 H Mn O5 | I 1 2/a 1 | 12.18; 6.35; 19.2 90; 93.3; 90 | 1482.52 | la Placa, S.J.; Hamilton, W.C.; Ibers, J.A. Crystal and molecular structure of manganese pentacarbonyl hydride Inorganic Chemistry, 1964, 3, 1491-1495 |
| 4344315 | CIF | P2 Si | P a -3 | 5.681; 5.681; 5.681 90; 90; 90 | 183.347 | Chattopadhyay, T.K.; von Schnering, H.G. Electron density distribution in Si P2 with the pyrite structure Studies in Inorganic Chemistry, 1983, 3, 761-764 |
| 4344317 | CIF | S3 Sc2.055 | R -3 m :H | 3.657; 3.657; 17.91 90; 90; 120 | 207.432 | Dismukes, J.P.; White, J.G. The preparation, properties and crystal structures of some scandium sulfides in the range Sc2 S3 - Sc S Inorganic Chemistry, 1964, 3, 1220-1228 |
| 4344373 | CIF | H12 Na4 O12 Xe | P b c a | 18.44; 10.103; 5.875 90; 90; 90 | 1094.51 | Zalkin, A.; Forrester, J.D.; Templeton, D.H. The Crystal Structure of Sodium Perxenate Hexahydrate Inorganic Chemistry, 1964, 3, 1417-1421 |
| 4344515 | CIF | C H4 Ag3 Cl2 N O10 | P 1 21 1 | 4.877; 21.187; 5.307 90; 91.42; 90 | 548.199 | Guo, G.-C.; Wang, Q.-M.; Mak, T. Variation of (Ag C N) chain configuration in silver(I) double salts: crystal structures of Ag C N * 2Ag N O3 and Ag C N * 2Ag Cl O4 * 2H2 O Inorganic Chemistry Communications, 2000, 3, 313-315 |
| 4344525 | CIF | C Ag3 N3 O6 | P 1 21/n 1 | 5.345; 11.366; 6.233 90; 101.98; 90 | 370.415 | Guo, G.-C.; Wang, Q.-M.; Mak, T. Variation of (Ag C N) chain configuration in silver(I) double salts: crystal structures of Ag C N * 2Ag N O3 and Ag C N * 2Ag Cl O4 * 2H2 O Inorganic Chemistry Communications, 2000, 3, 313-315 |
| 4344926 | CIF | I4 Th | P 1 21/n 1 | 13.216; 8.068; 7.766 90; 98.68; 90 | 818.6 | Zalkin, Allan; Forrester, J. D.; Templeton, David H. The Crystal Structure of Thorium Tetraiodide Inorganic Chemistry, 1964, 3, 639-644 |
| 4345981 | CIF | C96 H72 B12 F36 O12 | P 1 21/n 1 | 15.9651; 41.731; 21.9084 90; 92.985; 90 | 14576.4 | Alex I. Wixtrom; Yanwu Shao; Dahee Jung; Charles W. Machan; Shaunt N. Kevork; Elaine A. Qian; Jonathan C. Axtell; Saeed I. Khan; Clifford P. Kubiak; Alexander M. Spokoyny Rapid Synthesis of Redox-Active Dodecaborane B12(OR)12 Clusters Under Ambient Conditions Inorganic Chemistry Frontiers, 2016, 3, 711-717 |
| 4345982 | CIF | C124 H96 B12 F72 N O12 | P 1 c 1 | 13.9085; 38.6574; 25.437 90; 97.1607; 90 | 13569.9 | Alex I. Wixtrom; Yanwu Shao; Dahee Jung; Charles W. Machan; Shaunt N. Kevork; Elaine A. Qian; Jonathan C. Axtell; Saeed I. Khan; Clifford P. Kubiak; Alexander M. Spokoyny Rapid Synthesis of Redox-Active Dodecaborane B12(OR)12 Clusters Under Ambient Conditions Inorganic Chemistry Frontiers, 2016, 3, 711-717 |
| 4348982 | CIF | C42 H32 B2 Cu2 N12 | P -1 | 10.4075; 11.0056; 18.3138 76.021; 80.764; 73.239 | 1939.7 | Zhang, De-Xiang; Zhang, Hai-Xia; Wen, Tian; Li, Dong-Sheng; Zhang, Jian Mechanochromic Cu(i) boron imidazolate frameworks with low-dimensional structures and reducing function Inorganic Chemistry Frontiers, 2016, 3, 263 |
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