Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1200011 | CIF | K2 O4 S | P n a m | 7.456; 10.08; 5.776 90; 90; 90 | 434.1 | Robinson, Mark T. The crystal structures of β-K~2~SO~4~ and of β-K~2~PO~3~F Journal of Physical Chemistry, 1958, 62, 925-928 |
| 1200013 | CIF | K N O3 | R -3 m :H | 5.425; 5.425; 9.836 90; 90; 120 | 250.7 | Nimmo, J. K.; Lucas, B. W. The crystal structures of γ- and β-KNO~3~ and the α ←γ ←β phase transformations Acta Crystallographica B (24,1968-38,1982), 1976, 32, 1968-1971 |
| 1200014 | CIF | C2 Ca Mg O6 | R -3 :H | 4.812; 4.812; 16.02 90; 90; 120 | 321.3 | Beran, A.; Zemann, J. Refinement and comparison of the crystal structures of a dolomite and of an Fe-rich ankerite TMPM, Tschermaks Mineralogische und Petrographische Mitteilungen, 1977, 24, 279-286 |
| 1200015 | CIF | Al2.66 O4 | F d -3 m :1 | 7.906; 7.906; 7.906 90; 90; 90 | 494.2 | Shirasuka, K.; Yanagida, H.; Yamaguchi, G. The Preparation of η Alumina and its Structure Journal of the Ceramic Association, Japan, 1976, 84, 610-613 |
| 1200016 | CIF | Al H3 O3 | P 1 21/n 1 | 8.684; 5.078; 9.736 90; 94.54; 90 | 428 | Saalfeld, H; Wedde, M Refinement of the crystal structure of gibbsite, Al (O H)3 Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977), 1974, 139, 129-135 |
| 1200017 | CIF | C | P 63 m c | 2.47; 2.47; 6.79 90; 90; 120 | 35.9 | Hassel, O Ueber die Kristallstruktur des Graphits Zeitschrift fuer Physik, 1924, 25, 317-337 |
| 1200018 | CIF | C | R -3 m :R | 3.635; 3.635; 3.635 39.49; 39.49; 39.49 | 17.5 | Lipson, H.; Stokes, A. R. The Structure of Graphite Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 1942, 181, 101-105 |
| 1200019 | CIF | C | P 63 m c | 2.49; 2.49; 4.144 90; 90; 120 | 22.3 | Yeh, C; Lu, Z W; Froyen, S; Zunger, A Zinc-blende-Wurtzite polytypism in semiconductors Physical Review, Serie 3. B - Condensed Matter (18,1978-), 1992, 46, 10086-10097 |
| 1200020 | CIF | Ni5.72 Sb Se2 | I 4/m m m | 3.7021; 3.7021; 18.593 90; 90; 90 | 254.83 | Thomas K. Reynolds; Joshua G. Bales; Francis J. DiSalvo Synthesis and Properties of a New Metal-Rich Nickel Antimonide Telluride or Selenide: Ni7-SbX2 ( δ ≈ 1.3; X = Se or Te) Chemistry of Materials, 2002, 14, 4746-4751 |
| 1200021 | CIF | C16 H12 O7 | P 1 21/a 1 | 12.4556; 11.41; 9.8681 90; 101.318; 90 | 1375.2 | Fujii, Isao; Hirayama, Noriaki Structure of Capillarisin Analytical Sciences: X-ray Structure Analysis Online, 2003, 19, X63-X64 |
| 1500001 | CIF | O13 Sb6 | F d -3 m :2 | 10.303; 10.303; 10.303 90; 90; 90 | 1093.68 | David J. Steward; Osvald Knop; Conrad Ayasse; F. W. D. Woodhams Pyrochlores. VII. The oxides of antimony: an X-ray and Moessbauer study Canadian Journal of Chemistry, 1972, 50, 690-700 |
| 1500002 | CIF | C14 H22 Cd Cl4 N8 O2 | C 1 2/c 1 | 13.786; 9.4013; 17.6679 90; 98.672; 90 | 2263.7 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Chlorocadmate(II) salts of two 1,2,4-triazolo[1,5-a]pyrimidine derivatives Journal of Molecular Structure, 2008, 882, 30-34 |
| 1500003 | CIF | C14 H21 Cd N9 O9 S | P 1 21/c 1 | 12.8903; 13.1999; 14.7455 90; 117.673; 90 | 2221.96 | Sonia B. Jiménez-Pulido; Fátima M. Linares-Ordoñez; Miguel N. Moreno-Carretero; Miguel Quirós Versatile Coordinative Abilities of a New Hybrid Pteridine-Thiosemicarbazone Ligand: Crystal Structure, Spectroscopic Characterization, and Luminescent Properties Inorganic Chemistry, 2008, 47, 1096-1106 |
| 1500004 | CIF | C5 H5 Cd Cl3 N4 | P 1 21/c 1 | 11.7543; 12.6823; 6.6836 90; 96.71; 90 | 989.51 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Chlorocadmate(II) salts of two 1,2,4-triazolo[1,5-a]pyrimidine derivatives Journal of Molecular Structure, 2008, 882, 30-34 |
| 1500005 | CIF | As3 Co2 H47 N12 O16 | P c c n | 27.4534; 13.1997; 14.468 90; 90; 90 | 5242.9 | Ritu Bala; Raj Pal Sharma; Rajni Sharma; Juan M. Salas; Miguel Quirós; William T.A. Harrison Cationic cobaltammines as anion receptors: Synthesis, characterization an X-ray structure of bis-(hexaamminecobalt(III)) tris-(hydrogenarsenate) tetrahydrate Journal of Molecular Structure, 2007, 828, 174-180 |
| 1500006 | CIF | C11 H21.5 Cl Co N11 O5.25 | C 1 2/c 1 | 21.9843; 8.7959; 23.0121 90; 116.426; 90 | 3984.9 | Rajni Sharma; Raj Pal Sharma; Paloth Venugopalan; Miguel Quirós; Juan M. Salas; J. Yu; Y. Du Capture of aromatic carboxylate anion through second sphere coordination: Topological complementarity of [cis-Co(en)~2~(N~3~)~2~]^+^ and C~7~H~3~ClNO~4~^-^ ions Journal of Molecular Structure, 2008, 885, 7-14 |
| 1500007 | CIF | C8 H32 Br4 Cd Cl4 Co2 N8 | P b c a | 18.6201; 12.0872; 24.0877 90; 90; 90 | 5421.3 | Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós Second sphere coordination complexes via hydrogen bonding: Synthesis, spectroscopic characterisation of [trans-Co(en)~2~Cl~2~]CdX~4~ (X = Br or I) and single crystal X-ray structure determination of [trans-Co(en)~2~Cl~2~]CdBr~4~ Journal of Molecular Structure, 2006, 794, 341-347 |
| 1500008 | CIF | C24 H112 Cl7 Co6 N24 O26 P5 | P 1 21 1 | 12.8349; 18.7451; 16.002 90; 109.23; 90 | 3635.1 | Rajni Sharma; Raj Pal Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas A trinuclear cobalt(III) phosphate complex with a novel molecular structure: Synthesis and crystal structure of {[Co(en)~2~]~3~(PO~4~)(HPO~4~)}~2~(H~2~PO~4~)Cl~7~.6H~2~O Inorganic Chemistry Communications, 2006, 9, 782-784 |
| 1500009 | CIF | C8 H26 Co N7 O8 | P 1 21/c 1 | 10.2635; 9.048; 9.752 90; 104.493; 90 | 876.8 | Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl Journal of Molecular Structure, 2006, 784, 222-227 |
| 1500010 | CIF | C4 H18 Co N7 O8 | P 1 21/m 1 | 6.1926; 18.248; 6.2335 90; 90.078; 90 | 704.41 | Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl Journal of Molecular Structure, 2006, 784, 222-227 |
| 1500011 | CIF | C24 H29 Cl2 Co N9 O12 | P b c a | 14.9599; 19.0064; 23.4883 90; 90; 90 | 6678.5 | Sonia B. Jiménez-Pulido; Fátima M. Linares-Ordoñez; José M. Martínez-Martos; Miguel N. Moreno-Carretero; Miguel Quirós; María J. Ramírez-Expósito Metal complexes with the ligand derived from 6-acetyl-1,3,7-trimethyllumazine and benzohydrazide. Molecular structures of two new Co(II) and Rh(III) complexes and analysis of in vitro antitumor activity Journal of Inorganic Biochemistry, 2008, 102, 1677-1683 |
| 1500012 | CIF | C8 H32 Co2 Cr2 N12 O15 | F d d 2 | 24.778; 30.457; 6.5364 90; 90; 90 | 4932.8 | Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós Synthesis, spectroscopic characterisation and X-ray structure of [trans-Co(en)~2~(NO~2~)~2~]~2~(Cr~2~O~7~) Journal of Chemical Crystallography, 2005, 35, 769-775 |
| 1500013 | CIF | C22 H20 Cl2 Cu N10 O10 | P -1 | 9.5677; 12.4114; 13.3517 75.465; 71.674; 78.059 | 1442.71 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative Polyhedron, 2008, 27, 2779-2784 |
| 1500014 | CIF | C26 H26 Cl2 Cu N10 O9 | P 1 21/c 1 | 12.1033; 18.1364; 14.2061 90; 102.712; 90 | 3041.9 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative Polyhedron, 2008, 27, 2779-2784 |
| 1500015 | CIF | C17 H14 Cu N8 O7 | P 1 2/n 1 | 14.8687; 7.347; 18.2668 90; 95.563; 90 | 1986.1 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative Polyhedron, 2008, 27, 2779-2784 |
| 1500016 | CIF | C12 H20 Cl2 Cu N10 O10 | P 1 21/c 1 | 13.3507; 14.2757; 13.053 90; 114.735; 90 | 2259.5 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative Polyhedron, 2008, 27, 2779-2784 |
| 1500017 | CIF | C16 H28 Cl2 Cu N10 O10 | P 1 21/c 1 | 14.2694; 8.768; 23.9159 90; 117.222; 90 | 2660.8 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative Polyhedron, 2008, 27, 2779-2784 |
| 1500018 | CIF | C25 H29 Cl3 Cu2 N20 O17 | P 1 21/c 1 | 13.2076; 22.2625; 14.1257 90; 102.797; 90 | 4050.3 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative Polyhedron, 2008, 27, 2779-2784 |
| 1500019 | CIF | C13 H11 N O2 | P b c a | 9.4668; 8.8177; 25.9413 90; 90; 90 | 2165.5 | Maria Lalia Kantouri; Christos D. Papadopoulos; Antonios G. Hatzdimitriou; Miguel Quirós Synthesis and characterization of new Co(III) mixed-ligand complexes, containing 2-hydroxy-aryloximes and α-diimines. Crystal and molecular strucutre of [Co(saox)(bipy)~2~]Br Polyhedron, 2007, 26, 1292-1302 |
| 1500020 | CIF | C68 H76 F12 N4 O16 Ru4 S4 | P -1 | 13.1234; 18.0169; 18.6161 102.806; 102.335; 107.799 | 3894.5 | Miguel A. Galindo; Miguel Quirós; M. Angustias Romero; Jorge A.R. Navarro Cyclic tetranuclear half-sandwich ruthenium(II) complexes with 4,7-phenanthroline and hydroxo bridges: Crystal structure, solution behaviour and binding to nucleosides Journal of Inorganic Biochemistry, 2008, 102, 1025-1032 |
| 1500021 | CIF | C64 H84 N8 O20 Ru4 | C 1 2/c 1 | 32.9293; 20.2105; 22.498 90; 105.708; 90 | 14413.6 | Miguel A. Galindo; Miguel Quirós; M. Angustias Romero; Jorge A.R. Navarro Cyclic tetranuclear half-sandwich ruthenium(II) complexes with 4,7-phenanthroline and hydroxo bridges: Crystal structure, solution behaviour and binding to nucleosides Journal of Inorganic Biochemistry, 2008, 102, 1025-1032 |
| 1500022 | CIF | C28.81 H26.43 Br Co N5.33 O3.9 | P n m a | 17.7483; 36.829; 17.3196 90; 90; 90 | 11320.9 | Maria Lalia-Kantouri; Christos D. Papadopoulos; Antonios G. Hatzidimitriou; Miguel Quirós Synthesis and characterization of new Co(III) mixed-ligand complexes, containing 2-hydroxy-aryloximes and α-diimines. Crystal and molecular strucutre of [Co(saox)(bipy)~2~]Br Polyhedron, 2007, 26, 1292-1302 |
| 1500023 | CIF | C28 H41 Co N4 O8 | C 1 2/c 1 | 36.332; 9.1289; 19.2431 90; 103.487; 90 | 6206.4 | Rajni Sharma; Raj Pal Sharma; Ritu Bala; Miguel Quirós; Juan M. Salas First X-ray structure of a cis-isomer of cobalt(III) aromatic carboxylate: Synthesis, and characterization of [cis-Co(en)~2~(C~8~H~7~O~2~)~2~](C~8~H~7~O~2~).2H~2~O, where C~8~H~7~O~2~ = p-methylbenzoate Inorganic Chemistry Communications, 2006, 9, 1075-1078 |
| 1500024 | CIF | C7 H17 Cl N2 O2 | P 1 21/n 1 | 8.8749; 16.4118; 7.1373 90; 93.8031; 90 | 1037.28 | Armel Le Bail <i>Ab initio</i> structure determination of bethanechol chloride Powder Diffraction, 2010, 25 |
| 1500026 | CIF | C10 H20 Cd N10 O10 | P -1 | 6.811; 8.7316; 8.9234 86.413; 67.813; 87.315 | 490.27 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas; Antonio Rodríguez-Diéguez Inorganica Chimica Acta, 2009, 362, 1553-1558 |
| 1500027 | CIF | C12 H24 Cd N10 O10 | P -1 | 7.7334; 7.8437; 9.9055 75.722; 80.977; 65.012 | 526.84 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas; Antonio Rodríguez-Diéguez Inorganica Chimica Acta, 2009, 362, 1553-1558 |
| 1500028 | CIF | C18 H29 Cu N13 O4 | P 1 21/c 1 | 8.4355; 40.985; 7.1685 90; 113.298; 90 | 2276.3 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Polyhedron, 2010, 29, 372-378 |
| 1500029 | CIF | C16 H32 Cu N14 O6 | P -1 | 7.5499; 8.1885; 10.9247 108.819; 96.302; 97.634 | 625.18 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Polyhedron, 2010, 29, 372-378 |
| 1500030 | CIF | C36 H54 Cu2 N14 O18 | P -1 | 9.2352; 11.433; 11.7995 71.035; 87.722; 77.265 | 1148.6 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Inorganic Chemistry Communications, 2010, 13, 399-403 |
| 1500031 | CIF | C22 H30 Mn N12 O8 | P -1 | 8.4735; 9.1517; 10.25 89.138; 88.455; 64.069 | 714.57 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Polyhedron, 2009, 28, 911-916 |
| 1500032 | CIF | C22 H30 Co N12 O8 | P -1 | 8.4326; 9.0674; 10.2434 89.034; 88.769; 63.924 | 703.32 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Polyhedron, 2009, 28, 911-916 |
| 1500033 | CIF | C22 H30 N12 Ni O8 | P -1 | 8.4471; 8.6061; 11.4137 83.422; 69.44; 61.375 | 680.47 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Polyhedron, 2009, 28, 911-916 |
| 1500034 | CIF | C22 H30 Cu N12 O8 | P -1 | 8.6913; 11.2673; 14.9465 110.327; 92.4; 98.579 | 1350.22 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Polyhedron, 2009, 28, 911-916 |
| 1500035 | CIF | C22 H30 N12 O8 Zn | P -1 | 8.409; 8.9126; 9.9452 86.016; 86.98; 66.681 | 682.56 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Polyhedron, 2009, 28, 911-916 |
| 1500036 | CIF | C22 H30 Cd N12 O8 | P -1 | 8.5015; 9.1721; 10.1821 87.25; 87.41; 65.661 | 722.29 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Polyhedron, 2009, 28, 911-916 |
| 1500037 | CIF | C12 H24 Mn N10 O10 | P -1 | 7.7462; 8.0979; 9.9361 74.563; 80.102; 63.533 | 536.79 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas; Antonio Rodríguez-Diéguez Inorganica Chimica Acta, 2009, 362, 1553-1558 |
| 1500038 | CIF | C16 H34 N14 Ni O7 | P -1 | 8.1905; 8.2396; 10.8651 95.215; 95.77; 117.933 | 636.5 | Carmen R. Maldonado; Miguel Quirós; Juan M. Salas Polyhedron, 2010, 29, 372-378 |
| 1500039 | CIF | C7 H7 N O | P 1 21/c 1 | 5.05506; 5.51404; 22.95644 90; 101.291; 90 | 627.5 | Thun, Jürgen; Seyfarth, Lena; Senker, Jürgen; Dinnebier, Robert E.; Breu, Josef Polymorphism in benzamide: solving a 175-year-old riddle. Angewandte Chemie (International ed. in English), 2007, 46, 6729-6731 |
| 1500040 | CIF | C7 H10 Ag Cl N2 | P b c a | 16.33228; 16.2155; 7.24228 90; 90; 90 | 1918.02 | Al-Ktaifani, M. M.; Rukiah, M. K.; Shaaban, A. K. Synthesis and Solid State Characterization of Organometallic Polymer of Ag(I) Using 2,2-Dimethyl-1,3-diisocyano Propane Ligand Pol.J.Chem., 2008, 82, 547-557 |
| 1500041 | CIF | Ba Fe La O4 | I 4/m m m | 3.921; 3.921; 13.175 90; 90; 90 | 202.56 | Abbattista, F; Mazza, D; Vallino, M Preparatiion and characterization of BaLaFeO4 Materials Research Bulletin, 1986, 21, 733-738 |
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