Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000128 | CIF | Cr2 H12 N4 O7 Pd | P 1 21/c 1 | 7.771; 11.578; 11.852 90; 105.5; 90 | 1027.6 | Laligant, Y; Le Bail, A Structure of (Pd (N H3)4) Cr2 O7 Powder Diffraction, 1995, 10, 159-164 |
| 1001469 | CIF | Ba2 Ce O6 Pt | F m -3 m | 8.4088; 8.4088; 8.4088 90; 90; 90 | 594.6 | Ouchetto, K; Archaimbault, F; Pineau, A; Choisnet, J Chemical and structural characterization of a new barium ceroplatinate: Ba~2~CePtO~6~ a double perovskite mixed oxide Journal of Materials Science. Letters, 1991, 10, 1277-1279 |
| 1008748 | CIF | D2 O | P 63/m m c | 4.513; 4.513; 7.355 90; 90; 120 | 129.7 | Peterson, S W; Levy, H A A Single-Crystal Neutron Diffraction Study of Heavy Ice Acta Crystallographica (1,1948-23,1967), 1957, 10, 70-76 |
| 1008749 | CIF | D2 O | P 63/m m c | 4.489; 4.489; 7.327 90; 90; 120 | 127.9 | Peterson, S W; Levy, H A A Single-Crystal Neutron Diffraction Study of Heavy Ice Acta Crystallographica (1,1948-23,1967), 1957, 10, 70-76 |
| 1008776 | CIF | C H4 N2 O | P -4 21 m | 5.661; 5.661; 4.712 90; 90; 90 | 151 | Worsham, J E jr.; Levy, H A; Peterson, S W The positions of hydrogen atoms in urea by neutron diffraction Acta Crystallographica (1,1948-23,1967), 1957, 10, 319-323 |
| 1008819 | CIF | Ba2 Cu Hg O4.34 | P 4/m m m | 3.8816; 3.8816; 9.5163 90; 90; 90 | 143.4 | Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J. Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~ Superconductor Science and Technology, 1997, 10, 598-604 |
| 1008820 | CIF | Ba2 Cu Hg O4.27 | P 4/m m m | 3.8792; 3.8792; 9.5117 90; 90; 90 | 143.1 | Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J. Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~ Superconductor Science and Technology, 1997, 10, 598-604 |
| 1008821 | CIF | Ba2 Cu Hg O4.01 | P 4/m m m | 3.8776; 3.8776; 9.5005 90; 90; 90 | 142.8 | Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J. Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~ Superconductor Science and Technology, 1997, 10, 598-604 |
| 1008822 | CIF | Ba2 Cu Hg O4.27 | P 4/m m m | 3.8793; 3.8793; 9.505 90; 90; 90 | 143 | Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J. Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~ Superconductor Science and Technology, 1997, 10, 598-604 |
| 1008823 | CIF | Ba2 Cu Hg O4.24 | P 4/m m m | 3.8751; 3.8751; 9.4852 90; 90; 90 | 142.4 | Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J. Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~ Superconductor Science and Technology, 1997, 10, 598-604 |
| 1008824 | CIF | Ba2 Cu Hg O4.31 | P 4/m m m | 3.8784; 3.8784; 9.4903 90; 90; 90 | 142.8 | Pissas, M.; Billon, B.; Charalambous, M.; Chaussy, J.; LeFloch, S.; Bordet, P.; Capponi, J. J. Single-crystal growth and characterization of the superconductor HgBa~2~CuO~4+δ~ Superconductor Science and Technology, 1997, 10, 598-604 |
| 1008898 | CIF | Mg O6 Pb2 Te | F m -3 m | 7.9976; 7.9976; 7.9976 90; 90; 90 | 511.5 | Baldinozzi, G; Grebille, D; Sciau, Ph; Kiat, J-M; Moret, J; Berar, J-F Rietveld refinement of the incommensurate structure of the elpasolite (ordered perovskite) Pb2 Mg Te O6 Journal of Physics: Condensed Matter, 1998, 10, 6461-6472 |
| 1008899 | CIF | Mg O6 Pb2 Te | F m -3 m | 7.9838; 7.9838; 7.9838 90; 90; 90 | 508.9 | Baldinozzi, G; Grebille, D; Sciau, Ph; Kiat, J-M; Moret, J; Berar, J-F Rietveld refinement of the incommensurate structure of the elpasolite (ordered perovskite) Pb2 Mg Te O6 Journal of Physics: Condensed Matter, 1998, 10, 6461-6472 |
| 1008900 | CIF | Mg O6 Pb2 Te | R -3 :R | 5.6447; 5.6447; 5.6447 59.923; 59.923; 59.923 | 127 | Baldinozzi, G; Grebille, D; Sciau, Ph; Kiat, J-M; Moret, J; Berar, J-F Rietveld refinement of the incommensurate structure of the elpasolite (ordered perovskite) Pb2 Mg Te O6 Journal of Physics: Condensed Matter, 1998, 10, 6461-6472 |
| 1008960 | CIF | Fe1.125 Te | P 4/n m m :1 | 3.8245; 3.8245; 6.2818 90; 90; 90 | 91.9 | Fruchart, D; Convert, O; Wolfers, P; Madar, R; Senateur, J P; Fruchart, R Structure antiferromagnetique de Fe1.125 Te accompagnee d'une deformation monoclinique Materials Research Bulletin, 1974, 10, 169-174 |
| 1008984 | CIF | As Ho | F m -3 m | 5.769; 5.769; 5.769 90; 90; 90 | 192 | Levy, F Effets magnetostrictifs spontanes de quelques composes de terres rares. II Les combinaisons Ln X Physik der Kondensierten Materie, 1969, 10, 85-106 |
| 1008992 | CIF | As Tb | F m -3 m | 5.824; 5.824; 5.824 90; 90; 90 | 197.5 | Levy, F Effets magnetostrictifs spontanes de quelques composes de terres rares. II. Les combinaisons LnX Physik der Kondensierten Materie, 1969, 10, 85-106 |
| 1010200 | CIF | Cl4 H12 N4 Ti | I 4/m m m | 7.72; 7.72; 7.72 90; 90; 90 | 460.1 | Brager, A An X-Ray Examination of Titanium Nitride. II. Acta Physicochimica (USSR), 1939, 10, 887-902 |
| 1010605 | CIF | Ag3 O4 P | P -4 3 n | 6; 6; 6 90; 90; 90 | 216 | Wyckoff, R W G Crystal structure of silver phosphate and silver arsenate (Ag~3~ X O~4~) American Journal of Science, Serie 5(1,1921-1938), 1925, 10, 107-118 |
| 1010606 | CIF | Ag3 As O4 | P -4 3 n | 6.12; 6.12; 6.12 90; 90; 90 | 229.2 | Wyckoff, R W G Crystal structure of silver phosphate and silver arsenate (Ag~3~ X O~4~) American Journal of Science, Serie 5(1,1921-1938), 1925, 10, 107-118 |
| 1010632 | CIF | Br Cl H4 I N | P m c n | 6.14; 8.58; 10.03 90; 90; 90 | 528.4 | Mooney, R C L The crystal structure of Ammonium chlorobromoiodide Bulletin of the American Physical Society (-30,1955), 1935, 10, 30-30 |
| 1010781 | CIF | Co H18 I N6 O4 S | F -4 3 m | 10.71; 10.71; 10.71 90; 90; 90 | 1228.5 | Hassel, O Weitere Beobachtungen ueber Isomorphie bei kubischen Kristallen von Hexammine- und Pentammin-Aquokomplexsalzen Norsk Geologisk Tidsskrift, 1928, 10, 92-96 |
| 1010782 | CIF | Co2 H18 N12 | ; ; ; ; | Hassel, O Ueber die Existenz einer streng strukturtheoretisch nicht erlaubten Isomorphie hoehersymmetrischer Kristalle von Hexammin Pentamminaquo- und Tetrammindiaquo-Komplexen Norsk Geologisk Tidsskrift, 1928, 10, 32-38 | ||
| 1010783 | CIF | Co2 H17 N11 O | ; ; ; ; | Hassel, O Ueber die Existenz einer streng strukturtheoretisch nicht erlaubten Isomorphie hoehersymmetrischer Kristalle von Hexammin Pentamminaquo- und Tetrammindiaquo-Komplexen Norsk Geologisk Tidsskrift, 1928, 10, 32-38 | ||
| 1010784 | CIF | C6 H16 Co2 N10 O2 | ; ; ; ; | Hassel, O Ueber die Existenz einer strenq strukturtheoretisch nicht erlaubten Isomorphie hoehersymmetrischer Kristalle von Hexammin Pentamminaquo- und Tetrammindiaquo-Komplexen Norsk Geologisk Tidsskrift, 1928, 10, 32-38 | ||
| 1010879 | CIF | B H O2 | P b n m | 8.015; 9.679; 6.244 90; 90; 90 | 484.4 | Tazaki, H. The structure of orthorhombic metaboric acid, HBO~2~ (α) Journal of Science of the Hiroshima University, Series A: Mathematics, Physics, Chemistry, 1940, 10, 55-61 |
| 1010886 | CIF | B H O2 | P n m a | 8.015; 9.679; 6.244 90; 90; 90 | 484.4 | Tazaki, H Single crystals of metaboric acid. Journal of Science of the Hiroshima University, Series A: Mathematics, Physics, Chemistry, 1940, 10, 37-54 |
| 1010887 | CIF | B H O2 | P 1 21/c 1 | 6.76; 8.8; 7.15 90; 92.7; 90 | 424.9 | Tazaki, H Single crystals of metaboric acid. Journal of Science of the Hiroshima University, Series A: Mathematics, Physics, Chemistry, 1940, 10, 37-54 |
| 1011069 | CIF | Cl2 Hg2 | I 4/m m m | 4.47; 4.47; 10.89 90; 90; 90 | 217.6 | Havighurst, R J Crystal structure of the mercurous halides American Journal of Science, Serie 5(1,1921-1938), 1925, 10, 15-28 |
| 1011070 | CIF | Br2 Hg2 | I 4/m m m | 4.66; 4.66; 11.12 90; 90; 90 | 241.5 | Havighurst, R J Crystal structure of the mercurous halides American Journal of Science, Serie 5(1,1921-1938), 1925, 10, 15-28 |
| 1011100 | CIF | N0.88 Ti0.88 | F m -3 m | 4.22; 4.22; 4.22 90; 90; 90 | 75.2 | Brager, A An X-ray examination of titanium nitride. I Acta Physicochimica (USSR), 1939, 10, 593-600 |
| 1011102 | CIF | N Ti | F m -3 m | 4.225; 4.225; 4.225 90; 90; 90 | 75.4 | Hofmann, W; Schrader, A Titancarbid in grauem Gusseisen Archiv fuer das Eisenhuettenwesen, 1936, 10, 65-66 |
| 1011182 | CIF | Cl F Na6 O8 S2 | F m -3 m | 10.15; 10.15; 10.15 90; 90; 90 | 1045.7 | Watanabé, Tokunosuké The crystal structure of sulphohalite Proceedings of the Imperial Academy (Tokyo), 1934, 10, 575-577 |
| 1011370 | CIF | Hg2 I2 | I 4/m m m | 4.92; 4.92; 11.61 90; 90; 90 | 281 | Havighurst, R J Crystal structure of the mercurous halides American Journal of Science, Serie 5(1,1921-1938), 1925, 10, 15-28 |
| 1100041 | CIF | N0.61 Ti | I 41/a m d :1 | 4.198; 4.198; 8.591 90; 90; 90 | 151.4 | Nagakura, S; Kusunoki, T Structure of Ti Nx studied by electron diffraction and microscopy Journal of Applied Crystallography, 1977, 10, 52-56 |
| 1101118 | CIF | C42 H55 Cd Cl2 N18 O18.5 | P 1 21/n 1 | 14.4479; 22.195; 17.12 90; 97.126; 90 | 5447.5 | Nuria A. Illán-Cabeza; Rosario A. Vilaplana; Ysmael Álvarez; Khalid Akdi; Sanae Kamah; Francisco Hueso-Ureña; Miguel Quirós; Francisco González-Vílchez; Miguel N. Moreno-Carretero Synthesis, structure and biological activity of a new and efficient Cd(II)-uracil derivative complex system for cleavage of DNA JBIC Journal of Biological Inorganic Chemistry, 2005, 10, 924-934 |
| 1504329 | CIF | C20 H24 N2 O3 | P 1 21/n 1 | 9.2494; 16.5966; 24.0869 90; 100.324; 90 | 3637.7 | Gao, Yongnian; Lam, Yulin [3 + 2] Cycloaddition Reactions in the Synthesis of Triazolo[4,5-b]pyridin-5-ones and Pyrrolo[3,4-b]pyridin-2-ones Journal of Combinatorial Chemistry, 2008, 10, 327 |
| 1504330 | CIF | C24 H26 N2 O3 S | P 1 21/n 1 | 14.6152; 8.5366; 17.6486 90; 103.961; 90 | 2136.87 | Gao, Yongnian; Lam, Yulin [3 + 2] Cycloaddition Reactions in the Synthesis of Triazolo[4,5-b]pyridin-5-ones and Pyrrolo[3,4-b]pyridin-2-ones Journal of Combinatorial Chemistry, 2008, 10, 327 |
| 1504331 | CIF | C19 H26 F3 N O2 | P 1 21/c 1 | 8.2115; 24.22; 10.234 90; 109.503; 90 | 1918.6 | Mao, Shuli; Probst, Donald; Werner, Stefan; Chen, Jianzhong; Xie, Xiangqun; Brummond, Kay M. Diverging Rh(I)-Catalyzed Carbocylization Strategy to Prepare a Library of Unique Cyclic Ethers Journal of Combinatorial Chemistry, 2008, 10, 235 |
| 1504332 | CIF | C25 H21 N O5 | P 1 21/n 1 | 7.2833; 18.243; 15.361 90; 100.865; 90 | 2004.4 | Lai, Jiun-Ting; Shieh, Pei-Shan; Huang, Wei-Hao; Yang, Ding-Yah Syntheses of Oxazabicycle Library via One-Pot Tandem Reactions Journal of Combinatorial Chemistry, 2008, 10, 381 |
| 1504333 | CIF | C27 H26 N2 O5 | P 1 21/n 1 | 11.0623; 14.4745; 14.5087 90; 94.796; 90 | 2315 | Lai, Jiun-Ting; Shieh, Pei-Shan; Huang, Wei-Hao; Yang, Ding-Yah Syntheses of Oxazabicycle Library via One-Pot Tandem Reactions Journal of Combinatorial Chemistry, 2008, 10, 381 |
| 1504334 | CIF | C17 H26 N4 O3 | P b c a | 10.2548; 17.3996; 21.2408 90; 90; 90 | 3790 | Shaabani, Ahmad; Maleki, Ali; Mofakham, Hamid Novel Multicomponent One-Pot Synthesis of Tetrahydro-1H-1,5-benzodiazepine-2-carboxamide Derivatives Journal of Combinatorial Chemistry, 2008, 10, 595 |
| 1504335 | CIF | C25 H26 Cl2 N2 O2 | P -1 | 7.7322; 8.2825; 18.0011 77.605; 81.459; 85.056 | 1111.71 | Frankowski, Kevin J.; Neuenswander, Benjamin; Aubé, Jeffrey Explorations ofStemonaAlkaloid-Inspired Analogues: Skeletal Modification and Functional Group Diversification Journal of Combinatorial Chemistry, 2008, 10, 721 |
| 1504336 | CIF | C14 H23 N O2 | P -1 | 5.2318; 8.6863; 13.9249 77.485; 81.316; 82.478 | 607.53 | Frankowski, Kevin J.; Neuenswander, Benjamin; Aubé, Jeffrey Explorations ofStemonaAlkaloid-Inspired Analogues: Skeletal Modification and Functional Group Diversification Journal of Combinatorial Chemistry, 2008, 10, 721 |
| 1504337 | CIF | C18 H20 N2 O | P 1 21/c 1 | 19.3878; 5.1046; 14.4014 90; 109.734; 90 | 1341.56 | Frankowski, Kevin J.; Neuenswander, Benjamin; Aubé, Jeffrey Explorations ofStemonaAlkaloid-Inspired Analogues: Skeletal Modification and Functional Group Diversification Journal of Combinatorial Chemistry, 2008, 10, 721 |
| 1504338 | CIF | C21 H26 F N3 O2 S | P 1 21/n 1 | 8.6512; 15.214; 17.0046 90; 95.071; 90 | 2229.4 | Shaabani, Ahmad; Maleki, Ali; Mofakham, Hamid; Khavasi, Hamid Reza Novel Isocyanide-Based Three-Component One-Pot Synthesis of Cyanophenylamino-acetamide Derivatives Journal of Combinatorial Chemistry, 2008, 10, 883 |
| 1504469 | CIF | C21 H22 N4 O6 | P -1 | 10.0212; 11.0094; 20.3173 89.994; 85.467; 75.587 | 2163.8 | Cui, Sun-Liang; Wang, Jing; Wang, Yan-Guang Facile access to pyrazolines via domino reaction of the Huisgen zwitterions with aziridines. Organic letters, 2008, 10, 13-16 |
| 1504470 | CIF | C25 H24 Cl N3 O4 | P 1 21/c 1 | 13.3036; 16.2479; 12.1618 90; 114.904; 90 | 2384.4 | Cui, Sun-Liang; Wang, Jing; Wang, Yan-Guang Facile access to pyrazolines via domino reaction of the Huisgen zwitterions with aziridines. Organic letters, 2008, 10, 13-16 |
| 1504471 | CIF | C19 H26 O6 | C 1 2 1 | 13.2953; 9.3972; 15.81 90; 110.029; 90 | 1855.8 | Burns, Aaron C.; Forsyth, Craig J. Intramolecular Diels-Alder/Tsuji allylation assembly of the functionalized trans-decalin of salvinorin A. Organic letters, 2008, 10, 97-100 |
| 1504472 | CIF | C18 H26 O4 | P 21 21 21 | 10.4487; 10.725; 15.021 90; 90; 90 | 1683.3 | Burns, Aaron C.; Forsyth, Craig J. Intramolecular Diels-Alder/Tsuji allylation assembly of the functionalized trans-decalin of salvinorin A. Organic letters, 2008, 10, 97-100 |
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