Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1000355 | CIF | Cr Cu P2 S6 | P 1 c 1 | 5.935; 10.282; 13.368 90; 106.78; 90 | 781 | Maisonneuve, V; Cajipe, V B; Payen, C Low-temperature neutron powder diffraction study of CuCrP~2~S~6~: observation of an ordered, antipolar copper sublattice Chemistry of Materials (1,1989-, 1993, 5, 758-760 |
| 1001710 | CIF | Cu Fe O6 Pb2 Sr2 | C m m m | 5.4604; 5.5227; 12.2112 90; 90; 90 | 368.2 | Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6 Journal of Materials Chemistry, 1995, 5, 1163-1170 |
| 1001711 | CIF | Cu Fe O6 Pb2 Sr2 | P 2 a n | 5.4606; 5.5228; 12.2112 90; 90; 90 | 368.3 | Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6 Journal of Materials Chemistry, 1995, 5, 1163-1170 |
| 1001712 | CIF | Cu Fe O6 Pb2 Sr2 | P 21 a m | 5.4604; 5.5227; 12.211 90; 90; 90 | 368.2 | Rouillon, T; Caldes, M T; Genouel, R; Michel, C; Hervieu, M; Raveau, B An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6 Journal of Materials Chemistry, 1995, 5, 1163-1170 |
| 1004034 | CIF | Cl5 H2 In K2 O | P n m a | 13.905; 9.952; 7.185 90; 90; 90 | 994.3 | Wignacourt, J P; Mairesse, G; Barbier, P Potassium pentachloroindate monohydrate, K~2~ (In Cl~5~, H~2~ O) Crystal Structure Communications, 1976, 5, 293-296 |
| 1004060 | CIF | Al Cl4 N O | P n m a | 10.411; 7.055; 9.461 90; 90; 90 | 694.9 | Barbier, P; Mairesse, G; Wignacourt, J P; Baert, F Nitrosyl tetrachloroaluminate N O Al Cl~4~ Crystal Structure Communications, 1976, 5, 633-637 |
| 1008091 | CIF | Fe O3 Tb | P b n m | 5.326; 5.602; 7.635 90; 90; 90 | 227.8 | Bertaut, E F; Chappert, J; Mareschal, J; Rebouillat, J P; Sivardiere, J Structures magnetiques de Tb Fe O~3~ Solid State Communications, 1967, 5, 293-298 |
| 1008112 | CIF | Ni Se4 V2 | C 1 2/m 1 | 6.142; 3.437; 11.55 90; 91.5; 90 | 243.7 | Bouchard, R J; Robinson, W T; Wold, A Structure and Properties of Nickel Vanadium Selenide, Ni V~2~ Ye~4~ Inorganic Chemistry, 1966, 5, 977-980 |
| 1008159 | CIF | Cr Er O3 | P b n m | 5.223; 5.516; 7.519 90; 90; 90 | 216.6 | Bertaut, E F; Mareschal, J Etude de la Structure Magnetique des Chromites d'Erbium et de Neodyme par Diffraction Neutronique Solid State Communications, 1967, 5, 93-97 |
| 1008160 | CIF | Cr Nd O3 | P b n m | 5.425; 5.478; 7.694 90; 90; 90 | 228.7 | Bertaut, E F; Mareschal, J Etude de la Structure Magnetique des Chromites d'Erbium et de Neodyme par Diffraction Neutronique Solid State Communications, 1967, 5, 93-97 |
| 1008453 | CIF | Cu O12 P3 Ti2 | R -3 c :H | 8.5271; 8.5271; 21.32 90; 90; 120 | 1342.5 | Mbandza, A; Bordes, E; Courtine, P; El Jazouli, A; Soubeyroux, J L; Le Flem, G; Hagenmueller, P The Nasicon-type copper(I) titanium phosphate CuTi~2~(PO~4~)~3~: structure and chemical properties Reactivity of Solids, 1988, 5, 315-321 |
| 1008535 | CIF | F3 H4 Mn N | P n m a | 5.952; 8.543; 5.949 90; 90; 90 | 302.5 | Laguna, M A; Sanjuan, M L; Orera, V M; Rubin, J; Palacios, E; Pique, M C; Bartolome, J; Berar, J F X-ray and raman study of the low temperature NH~4~MnF~3~ structure;evidence of librational motion of the NH~4~^+^ ion Journal of Physics: Condensed Matter, 1993, 5, 283-300 |
| 1008600 | CIF | Fe17 N2.964 Th2 | R -3 m :H | 8.802; 8.802; 12.737 90; 90; 120 | 854.6 | Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Deportes, J; Buschow, K H J Structural study and magnetic characterization of Th~2~Fe~17~D~5~, Th~2~Fe~17~C~x~H~5-x~ and Th~2~Fe~17~N~3~ Journal of Physics: Condensed Matter, 1993, 5, 5481-5490 |
| 1008601 | CIF | Fe17 N2.964 Th2 | R -3 m :H | 8.7653; 8.7653; 12.691 90; 90; 120 | 844.4 | Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Deportes, J; Buschow, K H J Structural study and magnetic characterization of Th~2~Fe~17~D~5~, Th~2~Fe~17~C~x~H~5-x~ and Th~2~Fe~17~N~3~ Journal of Physics: Condensed Matter, 1993, 5, 5481-5490 |
| 1008602 | CIF | D4.956 Fe17 Th2 | R -3 m :H | 8.7116; 8.7116; 12.624 90; 90; 120 | 829.7 | Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Deportes, J; Buschow, K H J Structural study and magnetic characterization of Th~2~Fe~17~D~5~, Th~2~Fe~17~C~x~H~5-x~ and Th~2~Fe~17~N~3~ Journal of Physics: Condensed Matter, 1993, 5, 5481-5490 |
| 1008603 | CIF | D4.668 Fe17 Th2 | R -3 m :H | 8.682; 8.682; 12.56 90; 90; 120 | 819.9 | Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Deportes, J; Buschow, K H J Structural study and magnetic characterization of Th~2~Fe~17~D~5~, Th~2~Fe~17~C~x~H~5-x~ and Th~2~Fe~17~N~3~ Journal of Physics: Condensed Matter, 1993, 5, 5481-5490 |
| 1008604 | CIF | Fe17 H4.272 Th2 | R -3 m :H | 8.7457; 8.7457; 12.65 90; 90; 120 | 837.9 | Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Deportes, J; Buschow, K H J Structural study and magnetic characterization of Th~2~Fe~17~D~5~, Th~2~Fe~17~C~x~H~5-x~ and Th~2~Fe~17~N~3~ Journal of Physics: Condensed Matter, 1993, 5, 5481-5490 |
| 1008605 | CIF | Fe17 H4.284 Th2 | R -3 m :H | 8.751; 8.751; 12.643 90; 90; 120 | 838.5 | Isnard, O; Miraglia, S; Soubeyroux, J L; Fruchart, D; Deportes, J; Buschow, K H J Structural study and magnetic characterization of Th~2~Fe~17~D~5~, Th~2~Fe~17~C~x~H~5-x~ and Th~2~Fe~17~N~3~ Journal of Physics: Condensed Matter, 1993, 5, 5481-5490 |
| 1008962 | CIF | Co Mn Sb | F d -3 m :2 | 11.746; 11.746; 11.746 90; 90; 90 | 1620.6 | Senateur, J P; Rouault, A; Fruchart, R Structure and alloy chemistry of metastable Ge Sb Journal of Solid State Chemistry, 1972, 5, 226-228 |
| 1009019 | CIF | C3 Cr7 | P m c n | 7.01; 12.142; 4.526 90; 90; 90 | 385.2 | Rouault, M A; Herpin, P; Fruchart, M R Etude cristallographique des carbures Cr7 C3 et Mn7 C3 Annales de Chimie (Paris) (Vol=Year), 1970, 5, 461-470 |
| 1010151 | CIF | Br3 Cr | P 3 | 6.26; 6.26; 18.2 90; 90; 120 | 617.7 | Braekken, H Die Kristallstruktur von Chromtribromid Kongelige Norske Videnskapers Selskab, Forhandlinger, 1932, 5, 42-42 |
| 1010521 | CIF | B3 K3 O6 | R -3 c :R | 7.76; 7.76; 7.76 110.6; 110.6; 110.6 | 343.9 | Zachariasen, W H The Crystal Structure of Potassium Metaborate K~3~ (B~3~ O~6~) Journal of Chemical Physics, 1937, 5, 919-922 |
| 1010601 | CIF | Cl2 H6 N2 | P a -3 | 7.89; 7.89; 7.89 90; 90; 90 | 491.2 | Wyckoff, R W G The Crystal Structure of Hydrazine Dihydrochloride American Journal of Science, Serie 5(1,1921-1938), 1923, 5, 15-22 |
| 1010799 | CIF | H10 N4 O5 Pt Sr | 10.555; 15.42; 7.131 90; 94.82; 90 | 1156.5 | Brasseur, H; de Rassenfosse, A Etude cristallographique du platinocyanure de strontium Sr Pt (C N)~4~ (H~2~ O)~5~ Bulletin de la Societe Royal des Sciences de Liege, 1936, 5, 123-129 | |
| 1010976 | CIF | Ce F3 | P 63 2 2 | 7.137; 7.137; 7.295 90; 90; 120 | 321.8 | Oftedal, I Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 5, 272-292 |
| 1010983 | CIF | F3 La | P 63 2 2 | 7.176; 7.176; 7.344 90; 90; 120 | 327.5 | Oftedal, I Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 5, 272-292 |
| 1010984 | CIF | F3 Pr | P 63 2 2 | 7.076; 7.076; 7.233 90; 90; 120 | 313.6 | Oftedal, P Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 5, 272-292 |
| 1010985 | CIF | F3 Nd | P 63 2 2 | 7.034; 7.034; 7.211 90; 90; 120 | 309 | Oftedal, I Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 5, 272-292 |
| 1010986 | CIF | F3 Sm | P 63 2 2 | 6.99; 6.99; 7.16 90; 90; 120 | 303 | Oftedal, I Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 5, 272-292 |
| 1011350 | CIF | Ce F3 | P 63 2 2 | 7.128; 7.128; 7.288 90; 90; 120 | 320.7 | Oftedal, I Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie, 1929, 5, 272-292 |
| 1100098 | CIF | ? | I 41/a m d :2 | 5.254; 5.254; 12.971 90; 90; 90 | 358.1 | Yamnova, N A; Pushcharovskii, D Y; Apollonov, V N Vestnik Moskovskogo Universiteta, Geologiya, 1989, 5, 73-75 |
| 1100506 | CIF | C33 H36 N O6 P | P 21 21 21 | 8.919; 15.543; 21.796 90; 90; 90 | 3021.54 | Breit, Bernhard; Dauber, Mario; Harms, Klaus Substrate-Directed Diastereoselective Hydroformylation: Key Step for the Assembly of Polypropionate Subunits Chemistry - A European Journal, 1999, 5, 2819-2827 |
| 1501600 | CIF | C136 H216 N30 O43 S4 | P 1 2/c 1 | 19.758; 10.8646; 36.649 90; 90.759; 90 | 7866.5 | Laliberté, Dominic; Maris, Thierry; Sirois, Ariane; Wuest, James D. Molecular Tectonics. Dendritic Construction of Porous Hydrogen-Bonded Networks Organic Letters, 2003, 5, 4787-4790 |
| 1501601 | CIF | C54 H66 O21 S6 | P -1 | 14.1959; 14.724; 17.312 67.503; 67.112; 88.948 | 3043.6 | Laliberté, Dominic; Maris, Thierry; Sirois, Ariane; Wuest, James D. Molecular Tectonics. Dendritic Construction of Porous Hydrogen-Bonded Networks Organic Letters, 2003, 5, 4787-4790 |
| 1506798 | CIF | C37 H57 Al N2 O2 | P 1 21/n 1 | 10.135; 17.391; 20.788 90; 98.25; 90 | 3626.1 | Tang, Zhaohui; Chen, Xuesi; Pang, Xuan; Yang, Yongkun; Zhang, Xuefei; Jing, Xiabin Stereoselective Polymerization ofrac-Lactide Using a Monoethylaluminum Schiff Base Complex Biomacromolecules, 2004, 5, 965 |
| 1507246 | CIF | C34 H36 Cl4 O8 | P -1 | 9.46; 12.892; 15.324 90.929; 104.42; 110.95 | 1678.9 | Lai, Chun Wing; Lam, Chi Keung; Lee, Hung Kay; Mak, Thomas C. W.; Wong, Henry N. C. Synthesis and studies of 1,4,5,8,9,12,13,16-octamethoxytetraphenylene. Organic letters, 2003, 5, 823-826 |
| 1507247 | CIF | C13 H17 F6 N O3 | P 21 21 21 | 10.111; 10.227; 17.082 90; 90; 90 | 1766.4 | Gierasch, Tiffany Malinky; Shi, Zhangjie; Verdine, Gregory L. Extensively stereodiversified scaffolds for use in diversity-oriented library synthesis. Organic letters, 2003, 5, 621-624 |
| 1507248 | CIF | C49 H63 Cl8 N4 Pd2 | P 1 21/c 1 | 16.874; 11.5818; 28.0119 90; 92.1412; 90 | 5470.58 | Jensen, David R.; Sigman, Matthew S. Palladium catalysts for aerobic oxidative kinetic resolution of secondary alcohols based on mechanistic insight. Organic letters, 2003, 5, 63-65 |
| 1507249 | CIF | C84 H106 Cl4 N4 Pd2 | P 41 | 21.5844; 21.5844; 17.3692 90; 90; 90 | 8092.1 | Jensen, David R.; Sigman, Matthew S. Palladium catalysts for aerobic oxidative kinetic resolution of secondary alcohols based on mechanistic insight. Organic letters, 2003, 5, 63-65 |
| 1507250 | CIF | C17 H17 N O5 | C 1 c 1 | 11.7495; 15.552; 8.5599 90; 104.998; 90 | 1510.9 | Bode, Jeffrey W.; Hachisu, Yoshifumi; Matsuura, Tomoo; Suzuki, Keisuke Facile construction and divergent transformation of polycyclic isoxazoles: direct access to polyketide architectures. Organic letters, 2003, 5, 391-394 |
| 1507251 | CIF | C20 H18 O5 | P -1 | 6.6827; 9.04; 14.3503 105.931; 92.702; 101.488 | 812.15 | Bode, Jeffrey W.; Uesuka, Hidehiro; Suzuki, Keisuke Isoxazole –> benzisoxazole rearrangement promoted cascade reactions affording stereodefined polycycles. Organic letters, 2003, 5, 395-398 |
| 1507252 | CIF | C17 H24 O5 | P -1 | 9.063; 13.131; 15.261 113.873; 90.212; 107.698 | 1565.3 | Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Pérez-Hernández, Natalia; Pérez, Ricardo; Martín, Julio D Controlled incorporation of water molecules into carboxy hydrogen-bond networks: a designed approach. Organic letters, 2003, 5, 641-644 |
| 1507253 | CIF | C30 H48 O10 | P -1 | 7.865; 13.066; 15.129 96.77; 92.87; 94.62 | 1536.1 | Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Pérez-Hernández, Natalia; Pérez, Ricardo; Martín, Julio D Controlled incorporation of water molecules into carboxy hydrogen-bond networks: a designed approach. Organic letters, 2003, 5, 641-644 |
| 1507254 | CIF | C13 H18 O6 | C 1 2/c 1 | 14.909; 6.9573; 24.574 90; 90.77; 90 | 2548.7 | Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Pérez-Hernández, Natalia; Pérez, Ricardo; Martín, Julio D Controlled incorporation of water molecules into carboxy hydrogen-bond networks: a designed approach. Organic letters, 2003, 5, 641-644 |
| 1507255 | CIF | C15 H24 O5 | P -1 | 9.05; 12.963; 14.175 107.348; 91.91; 102.552 | 1540.74 | Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Pérez-Hernández, Natalia; Pérez, Ricardo; Martín, Julio D Controlled incorporation of water molecules into carboxy hydrogen-bond networks: a designed approach. Organic letters, 2003, 5, 641-644 |
| 1507256 | CIF | C15 H22 O6 | P -1 | 7.712; 7.864; 14.943 76.01; 80.81; 61.89 | 774.5 | Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Pérez-Hernández, Natalia; Pérez, Ricardo; Martín, Julio D Controlled incorporation of water molecules into carboxy hydrogen-bond networks: a designed approach. Organic letters, 2003, 5, 641-644 |
| 1507257 | CIF | C13 H22 O6 | P -1 | 6.484; 7.662; 14.752 88.339; 83.2; 73.26 | 696.9 | Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Pérez-Hernández, Natalia; Pérez, Ricardo; Martín, Julio D Controlled incorporation of water molecules into carboxy hydrogen-bond networks: a designed approach. Organic letters, 2003, 5, 641-644 |
| 1507258 | CIF | C11 H16 O5 | P 1 n 1 | 8.681; 7.913; 8.884 90; 91.96; 90 | 609.9 | Pérez, Cirilo; Rodríguez, Matías L; Foces-Foces, Concepción; Pérez-Hernández, Natalia; Pérez, Ricardo; Martín, Julio D Controlled incorporation of water molecules into carboxy hydrogen-bond networks: a designed approach. Organic letters, 2003, 5, 641-644 |
| 1507259 | CIF | C12 H15 N O S | P 21 21 21 | 7.905; 11.582; 12.2 90; 90; 90 | 1117 | Williams, Andrew J.; Chakthong, Suda; Gray, Diane; Lawrence, Ron M.; Gallagher, Timothy 1,2-cyclic sulfamidates as versatile precursors to thiomorpholines and piperazines. Organic letters, 2003, 5, 811-814 |
| 1507260 | CIF | C25 H34 O3 | P 1 | 6.2563; 6.9299; 13.824 80.507; 77.19; 68.994 | 543.2 | Demeke, Damtew; Forsyth, Craig J. Total synthesis and stereochemistry of (-)-cacospongionolide F. Organic letters, 2003, 5, 991-994 |
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