Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7239333 | CIF | C188 H168 Cu4 N20 O40 | C 1 2/c 1 | 33.046; 13.284; 22.963 90; 116.035; 90 | 9057.5 | Wills, Kathryn A.; Mandujano-Ramírez, Humberto J.; Merino, Gabriel; Mattia, Davide; Hewat, Tracy; Robertson, Neil; Oskam, Gerko; Jones, Matthew D.; Lewis, Simon E.; Cameron, Petra J. Investigation of a copper(i) biquinoline complex for application in dye-sensitized solar cells RSC Advances, 2013, 3, 23361 |
| 7239348 | CIF | C73 H72 Cl8 Mn4 N16 O3 | P -1 | 9.65; 12.313; 17.436 87.08; 76.79; 87.47 | 2013.2 | Gobeze, Worku A.; Brooker, Sally Two distinct tetranuclear motifs, rectangular vs. extended, are observed for complexes of a bis-tetradentate pyrimidine-based ligand RSC Advances, 2013, 3, 24307 |
| 7239349 | CIF | C78.4 H94.6 Cl8 N16 Ni4 O6.9 | P -1 | 11.916; 12.3755; 15.7457 77.888; 73.973; 83.045 | 2177.1 | Gobeze, Worku A.; Brooker, Sally Two distinct tetranuclear motifs, rectangular vs. extended, are observed for complexes of a bis-tetradentate pyrimidine-based ligand RSC Advances, 2013, 3, 24307 |
| 7239350 | CIF | C73 H79 Cl8 Cu4 N16 O4.5 | P -1 | 12.727; 13.733; 13.977 118.696; 99.214; 98.49 | 2042.9 | Gobeze, Worku A.; Brooker, Sally Two distinct tetranuclear motifs, rectangular vs. extended, are observed for complexes of a bis-tetradentate pyrimidine-based ligand RSC Advances, 2013, 3, 24307 |
| 7239362 | CIF | C23 H22 N4 O | P -1 | 5.0932; 11.5499; 16.654 92.331; 93.567; 101.183 | 957.8 | Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M. Controlled tautomerism – switching caused by an “underground” anionic effect RSC Advances, 2013, 3, 25410 |
| 7239363 | CIF | C23 H23 Cl N4 O5 | P 1 21/c 1 | 15.6608; 12.611; 11.6097 90; 108.592; 90 | 2173.2 | Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M. Controlled tautomerism – switching caused by an “underground” anionic effect RSC Advances, 2013, 3, 25410 |
| 7239364 | CIF | C24 H28 N4 O6 S | P 1 21/n 1 | 16.448; 6.722; 23.296 90; 110.275; 90 | 2416 | Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M. Controlled tautomerism – switching caused by an “underground” anionic effect RSC Advances, 2013, 3, 25410 |
| 7239365 | CIF | C22 H22 N4 O3 | P -1 | 5.2175; 10.7215; 17.295 82.197; 81.572; 89.056 | 948.2 | Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M. Controlled tautomerism – switching caused by an “underground” anionic effect RSC Advances, 2013, 3, 25410 |
| 7239366 | CIF | C22 H23 Cl N4 O7 | P 1 21/c 1 | 15.4219; 12.5442; 11.5782 90; 107.116; 90 | 2140.66 | Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M. Controlled tautomerism – switching caused by an “underground” anionic effect RSC Advances, 2013, 3, 25410 |
| 7239367 | CIF | C22 H24 N4 O7 S | P 1 21 1 | 7.498; 21.404; 13.732 90; 91.611; 90 | 2202.9 | Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M. Controlled tautomerism – switching caused by an “underground” anionic effect RSC Advances, 2013, 3, 25410 |
| 7239368 | CIF | C22 H27 Cl N4 O5 | P -1 | 6.9584; 12.8269; 13.1334 76.183; 85.273; 86.982 | 1133.77 | Antonov, Liudmil; Deneva, Vera; Kurteva, Vanya; Nedeltcheva, Daniela; Crochet, Aurelien; Fromm, Katharina M. Controlled tautomerism – switching caused by an “underground” anionic effect RSC Advances, 2013, 3, 25410 |
| 7239395 | CIF | C27 H24 N2 O8 | P -1 | 7.2917; 10.673; 15.371 81.46; 87.501; 82.96 | 1173.7 | Wu, Tao; Zhang, Xiao-Peng; You, Xiao-Zeng Stereo-chemical analysis of racemization of a chiral bipyridine RSC Advances, 2013, 3, 26047 |
| 7239408 | CIF | C58 H44 N2 O2 | C 1 2/c 1 | 39.423; 11.962; 18.996 90; 106.61; 90 | 8584.3 | Nassimbeni, Luigi R.; Marivel, Samipillai; Su, Hong; Weber, Edwin Inclusion of picolines by a substituted binaphthyl diol host: selectivity and structure RSC Advances, 2013, 3, 25758 |
| 7239409 | CIF | C58 H44 N2 O2 | P 1 21/c 1 | 16.6293; 11.5306; 22.3729 90; 95.23; 90 | 4272.05 | Nassimbeni, Luigi R.; Marivel, Samipillai; Su, Hong; Weber, Edwin Inclusion of picolines by a substituted binaphthyl diol host: selectivity and structure RSC Advances, 2013, 3, 25758 |
| 7239410 | CIF | C52 H37 N O2 | P 1 21/n 1 | 9.9365; 20.7883; 18.8462 90; 100.617; 90 | 3826.3 | Nassimbeni, Luigi R.; Marivel, Samipillai; Su, Hong; Weber, Edwin Inclusion of picolines by a substituted binaphthyl diol host: selectivity and structure RSC Advances, 2013, 3, 25758 |
| 7239411 | CIF | C52 H37 N O2 | P 1 21/n 1 | 9.8747; 20.9315; 18.7773 90; 99.001; 90 | 3833.3 | Nassimbeni, Luigi R.; Marivel, Samipillai; Su, Hong; Weber, Edwin Inclusion of picolines by a substituted binaphthyl diol host: selectivity and structure RSC Advances, 2013, 3, 25758 |
| 7239414 | CIF | C144 H104 Cu8 Mo16 N40 O55 | P c a 21 | 21.155; 28.507; 27.46 90; 90; 90 | 16560 | Zhou, Shi; Liu, Bo; Chen, Ya-Guang; Li, Xiao-Min; Wang, Dong-Xiao A hybrid compound based on octamolybdates and a rigid multidentate ligand: synthesis, structure and characterization RSC Advances, 2013, 3, 24910 |
| 7239418 | CIF | C17 H14 O4 S | P 1 21/c 1 | 14.2101; 7.1147; 15.2952 90; 114.959; 90 | 1401.94 | Akula, Ramulu; Ibrahim, Hasim Tosyl cyanide as a C-sulfinylating agent: 3-sulfinylation of 4-hydroxycoumarins and related heterocycles RSC Advances, 2013, 3, 25719 |
| 8000225 | CIF | H20 La N5 O16 S4 | P -1 | 8.109; 9.491; 12.28 83.22; 70.71; 69.65 | 836.359 | Niinisto, L.; Toivonen, J.; Valkonen, J. The crystal structure of ammonium tetrasulfatolanthanate(III) (N H4)5 (La (S O4)4). An example of decacoordinated lanthanum Finnish Chemical Letters, 1980, 3, 87-92 |
| 8103436 | CIF | Au1.89083 Te3.03167 | P 1 | 12.123; 13.42; 10.783 104.36; 97.45; 108.03 | 1574.93 | Edenharter, A.; Bente, K.; Steins, M. Strukturuntersuchungen an Montbrayit, Au2 Te3 Zeitschrift fuer Kristallographie, Supplement Issue, 1991, 3, 63-64 |
| 9005067 | CIF | Ca H26.34 O46 P4 U7 | B m m b | 15.835; 17.324; 13.724 90; 90; 90 | 3764.84 | Piret, P.; Piret-Meunier J Composition chimique et structure cristalline de la phosphuranylite Ca(UO2)[(UO2)3(OH)2(PO4)2]2.12H2O European Journal of Mineralogy, 1991, 3, 69-77 |
| 9005068 | CIF | Ca2 Fe0.05 H2 Mg4.95 O24 Si8 | C 1 2/m 1 | 9.84; 18.042; 5.276 90; 104.76; 90 | 905.757 | Comodi, P.; Mellini, M.; Ungaretti, L.; Zanazzi, P. F. Compressibility and high pressure structure refinement of tremolite, pargasite and glaucophane Sample: pressure at ambient conditions (.001 kbar) European Journal of Mineralogy, 1991, 3, 485-499 |
| 9005069 | CIF | Ca2 Fe0.05 H2 Mg4.95 O24 Si8 | C 1 2/m 1 | 9.64; 17.89; 5.228 90; 105.1; 90 | 870.488 | Comodi, P.; Mellini, M.; Ungaretti, L.; Zanazzi, P. F. Compressibility and high pressure structure refinement of tremolite, pargasite and glaucophane Sample: pressure at 35 kbar European Journal of Mineralogy, 1991, 3, 485-499 |
| 9005070 | CIF | Al1.6 Fe1.42 H2 Li0.02 Mg1.98 Na1.98 O24 Si8 | C 1 2/m 1 | 9.531; 17.759; 5.303 90; 103.59; 90 | 872.461 | Comodi, P.; Mellini, M.; Ungaretti, L.; Zanazzi, P. F. Compressibility and high pressure structure refinement of tremolite, pargasite and glaucophane Sample: pressure at ambient conditions (.001 kbar) European Journal of Mineralogy, 1991, 3, 485-499 |
| 9005071 | CIF | Al1.6 Fe1.42 H2 Li0.02 Mg1.98 Na1.98 O24 Si8 | C 1 2/m 1 | 9.422; 17.662; 5.274 90; 103.9; 90 | 851.953 | Comodi, P.; Mellini, M.; Ungaretti, L.; Zanazzi, P. F. Compressibility and high pressure structure refinement of tremolite, pargasite and glaucophane Sample: pressure at 20 kbar European Journal of Mineralogy, 1991, 3, 485-499 |
| 9005072 | CIF | Al1.6 Fe1.42 H2 Li0.02 Mg1.98 Na1.98 O24 Si8 | C 1 2/m 1 | 9.349; 17.61; 5.257 90; 103.9; 90 | 840.146 | Comodi, P.; Mellini, M.; Ungaretti, L.; Zanazzi, P. F. Compressibility and high pressure structure refinement of tremolite, pargasite and glaucophane Sample: pressure at 37 kbar European Journal of Mineralogy, 1991, 3, 485-499 |
| 9005073 | CIF | Al1.68 Ca1.98 Cr0.18 Fe0.21 H2 K0.02 Mg4.26 Na0.74 O24 Si6.62 Ti0.07 | C 1 2/m 1 | 9.881; 17.998; 5.284 90; 105.25; 90 | 906.608 | Comodi, P.; Mellini, M.; Ungaretti, L.; Zanazzi, P. F. Compressibility and high pressure structure refinement of tremolite, pargasite and glaucophane Sample: pressure at ambient conditions (.001 kbar) European Journal of Mineralogy, 1991, 3, 485-499 |
| 9005074 | CIF | Al1.68 Ca0.198 Cr0.18 Fe0.21 H2 K0.02 Mg4.26 Na0.74 O24 Si6.62 Ti0.07 | C 1 2/m 1 | 9.733; 17.828; 5.24 90; 105.6; 90 | 875.75 | Comodi, P.; Mellini, M.; Ungaretti, L.; Zanazzi, P. F. Compressibility and high pressure structure refinement of tremolite, pargasite and glaucophane Sample: pressure at 35 kbar European Journal of Mineralogy, 1991, 3, 485-499 |
| 9005075 | CIF | Ca0.95 Mn6.05 O12 Si | I 41/a c d :2 | 9.468; 9.468; 18.862 90; 90; 90 | 1690.85 | de Villiers, J. P. R.; Dobson, S. M.; Buseck, P. R. Refinement of the crystal structure of neltnerite, a member of the bixbyite-braunite group of minerals European Journal of Mineralogy, 1991, 3, 567-573 |
| 9005076 | CIF | Al Ge3 K O8 | C 1 2/m 1 | 8.8163; 13.5536; 7.4577 90; 115.898; 90 | 801.645 | Kroll, H.; Flogel, J.; Breit, U.; Lons, J.; Pentinghaus, H. Order and anti-order in Ge-substituted alkali feldspars Sample: K[AlGe3O8] synthesized at 600 deg C European Journal of Mineralogy, 1991, 3, 739-749 |
| 9005077 | CIF | Al0.25 Ge0.75 Na0.25 O2 | C -1 | 8.411; 13.291; 7.342 94.38; 116.28; 90.87 | 732.681 | Kroll, H.; Flogel, J.; Breit, U.; Lons, J.; Pentinghaus, H. Order and anti-order in Ge-substituted alkali feldspars Sample: Na[AlGe3O8] synthesized at 980 deg C European Journal of Mineralogy, 1991, 3, 739-749 |
| 9005078 | CIF | Al Ge2 Na O8 Si | C -1 | 8.3258; 13.159; 7.2734 94.172; 116.306; 90.693 | 711.575 | Kroll, H.; Flogel, J.; Breit, U.; Lons, J.; Pentinghaus, H. Order and anti-order in Ge-substituted alkali feldspars Sample: Na[AlSiGe2O8] synthesized at 600 deg C European Journal of Mineralogy, 1991, 3, 739-749 |
| 9005079 | CIF | Al Ge2 Na O8 Si | C -1 | 8.3314; 13.1562; 7.2657 94.255; 116.3; 90.563 | 711.173 | Kroll, H.; Flogel, J.; Breit, U.; Lons, J.; Pentinghaus, H. Order and anti-order in Ge-substituted alkali feldspars Sample: Na[AlSiGe2O8] synthesized at 1040 deg C European Journal of Mineralogy, 1991, 3, 739-749 |
| 9005080 | CIF | Al0.003 Ca Fe0.014 O5 Si0.982 Ti0.975 | P 1 21/a 1 | 7.057; 8.707; 6.555 90; 113.81; 90 | 368.494 | Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F. The crystal-chemistry of high-aluminium titanites European Journal of Mineralogy, 1991, 3, 777-792 |
| 9005081 | CIF | Al0.282 Ca0.996 Fe0.011 O5 Si0.992 Ti0.714 | A 1 2/a 1 | 7.049; 8.653; 6.527 90; 114.12; 90 | 363.356 | Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F. The crystal-chemistry of high-aluminium titanites Sample: D167 Note: y-coord of Ca altered to reproduce published bond lengths European Journal of Mineralogy, 1991, 3, 777-792 |
| 9005082 | CIF | Al0.322 Ca0.984 Fe0.014 O5 Si Ti0.661 | A 1 2/a 1 | 7.045; 8.647; 6.522 90; 114.21; 90 | 362.364 | Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F. The crystal-chemistry of high-aluminium titanites Sample: K52 European Journal of Mineralogy, 1991, 3, 777-792 |
| 9005083 | CIF | Al0.349 Ca0.986 Fe0.023 O5 Si Ti0.605 | A 1 2/a 1 | 7.043; 8.637; 6.514 90; 114.25; 90 | 361.285 | Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F. The crystal-chemistry of high-aluminium titanites Sample: TK22 European Journal of Mineralogy, 1991, 3, 777-792 |
| 9005084 | CIF | Al0.363 Ca Fe0.013 O5 Si0.988 Ti0.636 | A 1 2/a 1 | 7.038; 8.635; 6.514 90; 114.24; 90 | 360.973 | Oberti, R.; Smith, D. C.; Rossi, G.; Caucia, F. The crystal-chemistry of high-aluminium titanites Sample: HEL697 European Journal of Mineralogy, 1991, 3, 777-792 |
| 9005085 | CIF | Al4.9 B1.1 O9 | A 21 a m | 7.6942; 15.011; 5.6689 90; 90; 90 | 654.745 | Garsche, M.; Tillmanns, E.; Almen, H.; Schneider, H.; Kupcik, V. Incorporation of chromium into aluminium borate 9Al2O3.2B2O3 (A9B2) Sample: Rietveld refinement of AgB2 European Journal of Mineralogy, 1991, 3, 793-808 |
| 9005086 | CIF | Al4.8 B1.04 Cr0.16 O9 | A 21 a m | 7.71; 15.07; 5.7 90; 90; 90 | 662.281 | Garsche, M.; Tillmanns, E.; Almen, H.; Schneider, H.; Kupcik, V. Incorporation of chromium into aluminium borate 9Al2O3*2B2O3 (A9B2) Sample: Single crystal structure refinement of AgB2+Cr European Journal of Mineralogy, 1991, 3, 793-808 |
| 9005087 | CIF | C20 H36 | P 21 21 21 | 12.356; 12.762; 11.427 90; 90; 90 | 1801.89 | Franzini, L.; Pasero, M.; Perchiazzi, N. Re-discovery and re-definition of dinite, C20H36, a forgotten organic mineral from Garfagnana, northern Tuscany, Italy Locality: Garfagnana, northern Tuscany, Italy European Journal of Mineralogy, 1991, 3, 855-861 |
| 9005757 | CIF | Mg O3 Si | P b n m | 4.78; 4.933; 6.902 90; 90; 90 | 162.747 | Yagi, T.; Mao, H. K.; Bell, P. M. Structure and crystal chemistry of perovskite-type MgSiO3 Sample: P = 1 bar, T = 25 C Physics and Chemistry of Minerals, 1978, 3, 97-110 |
| 9010965 | CIF | As2 Fe3 H16 O16 | C 1 2/m 1 | 10.25; 13.48; 4.71 90; 103.83; 90 | 631.914 | Mori, H.; Ito, T. The structure of vivianite and symplesite Acta Crystallographica, 1950, 3, 1-6 |
| 9010966 | CIF | Fe3 H16 O16 P2 | C 1 2/m 1 | 10.08; 13.43; 4.7 90; 104.5; 90 | 615.993 | Mori, H.; Ito, T. The structure of vivianite and symplesite Acta Crystallographica, 1950, 3, 1-6 |
| 9010967 | CIF | Co | P 63/m m c | 2.5074; 2.5074; 4.0699 90; 90; 120 | 22.16 | Taylor, A.; Floyd, R. W. Precision measurements of lattice parameters of non-cubic crystals Sample: at T < 450 C Acta Crystallographica, 1950, 3, 285-289 |
| 9010968 | CIF | Co | F m -3 m | 3.5442; 3.5442; 3.5442 90; 90; 90 | 44.52 | Taylor, A.; Floyd, R. W. Precision measurements of lattice parameters of non-cubic crystals Sample: at T > 450 C Acta Crystallographica, 1950, 3, 285-289 |
| 9010969 | CIF | Ce O4 P | P 62 2 2 | 7.055; 7.055; 6.439 90; 90; 120 | 277.551 | Mooney, R. C. L. X-ray diffraction study of cerous phosphate and related crystals I. Hexagonal modification Acta Crystallographica, 1950, 3, 337-340 |
| 9011834 | CIF | Cu Mn O2 | C 1 2/m 1 | 5.53; 2.884; 5.898 90; 104.6; 90 | 91.027 | Kondrashev, I. D. The crystal structure and composition of crednerite, CuMnO2 Note: calculated bond lengths unreconcileable with reported Soviet Physics Crystallography, 1959, 3, 703-706 |
| 9012427 | CIF | Ni | F m -3 m | 3.5168; 3.5168; 3.5168 90; 90; 90 | 43.495 | Jette, E. R.; Foote, F. Precision determination of lattice constants Sample: at T = 25C Note: latice parameter is average of four samples Journal of Chemical Physics, 1935, 3, 605-616 |
| 9012428 | CIF | Al | F m -3 m | 4.0413; 4.0413; 4.0413 90; 90; 90 | 66.003 | Jette, E. R.; Foote, F. Precision determination of lattice constants Locality: synthetic Sample: at T = 25 C Note: lattice parameter is average of two samples Journal of Chemical Physics, 1935, 3, 605-616 |
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