Crystallography Open Database
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Searching journal of publication like 'J. Am. Chem. Soc.'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 5000368 | CIF | C31 H24 Cl3 Mn O4 | P 1 21/n 1 | 13.888; 8.3476; 24.702 90; 102.689; 90 | 2793.8 | Guillem Aromí; Michael J. Knapp; Juan-Pablo Claude; John C. Huffman; David N. Hendrickson; George Christou High-Spin Molecules: Hexanuclear MnIII Clusters with [Mn6O4X4]6+ (X = Cl-, Br-) Face-Capped Octahedral Cores and S= 12 Ground States Journal of the American Chemical Society, 1999, 121, 5489-5499 |
| 5000376 | CIF | C57 H59 B F25 O P2 Ru | C 1 2/c 1 | 18.744; 17.87; 18.608 90; 95.48; 90 | 6204.4 | Huang, Dejian; Huffman, John C.; Bollinger, John C.; Eisenstein, Odile; Caulton, Kenneth G. The First η^2^-CH~2~Cl~2~ Adduct of Ru(II):[RuH(η^2^-CH~2~Cl~2~)(CO)(P^t^Bu~2~Me)~2~][BAr'~4~] (Ar' = 3,5-C~6~H~3~(CF~3~)~2~) and Its RuH(CO)(P^t^Bu~2~Me)~2~ + Precursor Journal of the American Chemical Society, 1997, 119, 7398-7399 |
| 5000381 | CIF | C61 H40 O | P 1 2/c 1 | 15.031; 11.437; 12.326 90; 96.702; 90 | 2104.48 | Ling Tong; Heidi Lau; Douglas M. Ho; Robert A. Pascal Polyphenylbiphenyls and Polyphenylfluorenes Journal of the American Chemical Society, 1998, 120, 6000-6006 |
| 5000383 | CIF | C48 H34 | P n n a | 20.912; 16.579; 9.737 90; 90; 90 | 3375.82 | Ling Tong; Heidi Lau; Douglas M. Ho; Robert A. Pascal Polyphenylbiphenyls and Polyphenylfluorenes Journal of the American Chemical Society, 1998, 120, 6000-6006 |
| 5000391 | CIF | C42 H24 | P 1 21/c 1 | 19.8971; 6.9274; 19.4153 90; 103.846; 90 | 2598.35 | Lisa Barnett; Douglas M. Ho; Kim K. Baldridge; Robert A. Pascal The Structure of Hexabenzotriphenylene and the Problem of Overcrowded "D3h" Polycyclic Aromatic Compounds Journal of the American Chemical Society, 1999, 121, 727-733 |
| 5000396 | CIF | C47 H48 O | C 1 2/c 1 | 22.8785; 12.4546; 25.6155 90; 93.51; 90 | 7285.3 | Jiajia Zhang; Douglas M. Ho; Robert A. Pascal Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone Journal of the American Chemical Society, 2001, 123, 10919-10926 |
| 5000397 | CIF | C43 H40 Cl2 | P 1 21/n 1 | 13.3467; 9.3553; 27.408 90; 102.452; 90 | 3341.7 | Jiajia Zhang; Douglas M. Ho; Robert A. Pascal Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone Journal of the American Chemical Society, 2001, 123, 10919-10926 |
| 5000398 | CIF | C46 H48 | P -1 | 10.1358; 16.5748; 22.172 76.86; 82.762; 75.525 | 3502.7 | Jiajia Zhang; Douglas M. Ho; Robert A. Pascal Synthesis of an Extremely Crowded Naphthalene via a Stable Norbornadienone Journal of the American Chemical Society, 2001, 123, 10919-10926 |
| 5900015 | CIF | C2 H5 N O | R 3 c :H | 11.44; 11.44; 13.49 90; 90; 120 | 1528.95 | J. Am. Chem. Soc., 1940, 62, 2008 |
| 5900016 | CIF | C2 H4 N4 | C 1 2/c 1 | 15; 4.44; 13.12 90; 115.33; 90 | 789.78 | J. Am. Chem. Soc., 1940, 62, 1258 |
| 5900020 | CIF | C4 H8 I2 S3 | P 41 21 2 | 6.01; 6.01; 29.4 90; 90; 90 | 1061.93 | J. Am. Chem. Soc., 1950, 72, 2701 |
| 5900025 | CIF | C H6 Cl N | P 4/m n c | 6.04; 6.04; 5.05 90; 90; 90 | 184.23 | J. Am. Chem. Soc., 1946, 68, 1970 |
| 6000558 | CIF | Ag F3 | P 61 2 2 | 5.0782; 5.0782; 15.4524 90; 90; 120 | 345.1 | Zemva, B.; Lutar, K.; Jesih, A.; Casteel, W. J.; Wilkinson, A. P.; Cox, D. E.; Vondreele, R. B.; Borrmann, H.; Bartlett, N. Silver trifluoride - preparation, crystal-structure, some properties, and comparison with AuF3 Journal of The American Chemical Society, 1991, 113, 4192-4198 |
| 6000559 | CIF | Au F3 | P 61 2 2 | 5.1508; 5.1508; 16.2637 90; 90; 120 | 373.68 | Zemva, B.; Lutar, K.; Jesih, A.; Casteel, W. J.; Wilkinson, A. P.; Cox, D. E.; Vondreele, R. B.; Borrmann, H.; Bartlett, N. Silver trifluoride - preparation, crystal-structure, some properties, and comparison with AuF3 Journal of The American Chemical Society, 1991, 113, 4192-4198 |
| 6000560 | CIF | Fe2 O5 P | P n m a | 7.3639; 6.432; 7.455 90; 90; 90 | 353.1 | Warner, J. K.; Cheetham, A. K.; Cox, D. E.; Vondreele, R. B. Valence contrast between iron sites in alpha-Fe2PO5 - a comparative-study by magnetic neutron and resonant X-ray-powder diffraction Journal of The American Chemical Society, 1992, 114, 6074-6080 |
| 9009782 | CIF | Fe2 O3 | R -3 c :R | 5.42; 5.42; 5.42 55.28; 55.28; 55.28 | 100.236 | Pauling, L.; Hendricks, S. B. Crystal structures of hematite and corundum Journal of the American Chemical Society, 1925, 47, 781-790 |
| 9012287 | CIF | O4 Pb3 | P -4 b 2 | 8.86; 8.86; 6.66 90; 90; 90 | 522.807 | Gross, S. T. The crystal structure of Pb3O4 Journal of the American Chemical Society, 1943, 65, 1107-1110 |
| 9012288 | CIF | B | P -4 n 2 | 8.73; 8.73; 5.03 90; 90; 90 | 383.351 | Hoard, J. L.; Geller, S.; Hughes, R. E. On the structure of elementary boron Journal of the American Chemical Society, 1951, 73, 1892-1893 |
| 9012289 | CIF | C | F d -3 m :1 | 3.56669; 3.56669; 3.56669 90; 90; 90 | 45.373 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012290 | CIF | C | F d -3 m :1 | 3.56672; 3.56672; 3.56672 90; 90; 90 | 45.374 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012291 | CIF | C | F d -3 m :1 | 3.56678; 3.56678; 3.56678 90; 90; 90 | 45.376 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012292 | CIF | C | F d -3 m :1 | 3.56684; 3.56684; 3.56684 90; 90; 90 | 45.379 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012293 | CIF | C | F d -3 m :1 | 3.5669; 3.5669; 3.5669 90; 90; 90 | 45.381 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: Diamond #1, lattice parameter is average of three runs Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012294 | CIF | C | F d -3 m :1 | 3.5667; 3.5667; 3.5667 90; 90; 90 | 45.373 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012295 | CIF | C | F d -3 m :1 | 3.56674; 3.56674; 3.56674 90; 90; 90 | 45.375 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012296 | CIF | C | F d -3 m :1 | 3.56675; 3.56675; 3.56675 90; 90; 90 | 45.375 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012297 | CIF | C | F d -3 m :1 | 3.56683; 3.56683; 3.56683 90; 90; 90 | 45.378 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012298 | CIF | C | F d -3 m :1 | 3.56689; 3.56689; 3.56689 90; 90; 90 | 45.38 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: white boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012299 | CIF | C | F d -3 m :1 | 3.5668; 3.5668; 3.5668 90; 90; 90 | 45.377 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012300 | CIF | C | F d -3 m :1 | 3.5668; 3.5668; 3.5668 90; 90; 90 | 45.377 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012301 | CIF | C | F d -3 m :1 | 3.56684; 3.56684; 3.56684 90; 90; 90 | 45.379 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 30 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012302 | CIF | C | F d -3 m :1 | 3.56689; 3.56689; 3.56689 90; 90; 90 | 45.38 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 40 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012303 | CIF | C | F d -3 m :1 | 3.567; 3.567; 3.567 90; 90; 90 | 45.385 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 50 C Note: grey boart Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012305 | CIF | C | F d -3 m :1 | 3.56678; 3.56678; 3.56678 90; 90; 90 | 45.376 | Straumanis, M. E.; Aka, E. Z. Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 20 C Note: Diamond #2 Journal of the American Chemical Society, 1951, 73, 5643-5646 |
| 9012309 | CIF | B | P 42/n n m :1 | 8.74; 8.74; 5.068 90; 90; 90 | 387.132 | Hoard, J. L.; Hughes, R. E.; Sands, D. E. The structure of tetragonal boron Sample: needle III Journal of the American Chemical Society, 1958, 80, 4507-4515 |
| 9012310 | CIF | B | P 42/n n m :1 | 8.771; 8.771; 5.088 90; 90; 90 | 391.422 | Hoard, J. L.; Hughes, R. E.; Sands, D. E. The structure of tetragonal boron Sample: plate Journal of the American Chemical Society, 1958, 80, 4507-4515 |
| 9012311 | CIF | S6 | R -3 :H | 10.818; 10.818; 4.28 90; 90; 120 | 433.779 | Donohue, J.; Caron, A.; Goldish, E. The crystal and molecular structure of S6 (sulfur-6) Locality: synthetic Journal of the American Chemical Society, 1961, 83, 3748-3751 |
| 9014103 | CIF | Na Nb O3 | P 21 m a | 5.571; 7.766; 5.513 90; 90; 90 | 238.517 | Johnston, K. E.; Tang, C. C.; Parker, J. E.; Knight, K. S.; Lightfoot, P.; Ashbrook, S. E. The polar phase of NaNbO3: a combined study by powder diffraction, solid-state NMR and first-principles calculations Note: this is a polymorph of lueshite Journal of the American Chemical Society, 2010, 132, 8732-8746 |
| 9014359 | CIF | Al2 Ca3 O6 | P m -3 m | 7.624; 7.624; 7.624 90; 90; 90 | 443.148 | Steele, F. A.; Davey, W. P. The crystal structure of tricalcium aluminate Journal of the American Chemical Society, 1929, 51, 2283-2293 |
| 9014841 | CIF | C2.878 H11.38 O5 | F d -3 m :1 | 17.1925; 17.1925; 17.1925 90; 90; 90 | 5081.79 | Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R. Gas hydrate single-crystal structure analyses Sample: (C3H8)8(CH4)14.9(H2O)136, T = 163 K Journal of the American Chemical Society, 2004, 126, 9407-9412 |
| 9014909 | CIF | C1.72 H18 O10 | F d -3 m :1 | 17.175; 17.175; 17.175 90; 90; 90 | 5066.29 | Kirchner, M. T.; Boese, R.; Billups, W. E.; Norman, L. R. Gas hydrate single-crystal structure analyses Sample: (C3H8)8(H2O)136, T = 123 K Journal of the American Chemical Society, 2004, 126, 9407-9412 |
| 9017518 | CIF | Fe O3 | R 3 c :R | 5.43; 5.43; 5.43 55.28; 55.28; 55.28 | 100.792 | Pauling, L.; Hendricks, S. The Structure of Hematite Journal of the American Chemical Society, 1925, 47, 781-790 |
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