Crystallography Open Database
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COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1101150 | CIF | B3 K O9 Sr4 | A m a 2 | 11.03843; 11.98974; 6.88446 90; 90; 90 | 911.14 | Li Wu; Xia Long Chen; Yan Ping Xu; Yan Ping Sun Structure Determination and Relative Properties of Novel Noncentrosymmetric Borates MM'~4~(BO~3~)~3~ (M = Na, N = Ca and M = K, M' = Ca, Sr) Inorganic Chemistry, 2006, 45, 3042-3047 |
| 1101151 | CIF | C44 H88 Mn12 O42 | P 1 21/n 1 | 11.8465; 14.2914; 20.564 90; 96.596; 90 | 3458.5 | Yangguang Li; Wolfgang Wernsdorfer; Rodolphe Clerac; Ian J. Hewitt; Christopher E. Anson; Annie K. Powell New Valence-Sandwich [MnII4MnIII4MnII4] Aggregate Showing Single-Molecule Magnet Behavior Inorganic Chemistry, 2006, 45, 2376-2378 |
| 1101152 | CIF | B4 Ca | P 4/m b m | 7.0989; 7.0989; 4.1353 90; 90; 90 | 208.4 | Schmitt, Ruth; Blaschkowski, Björn; Eichele, Klaus; Meyer, H.-Jürgen Calcium Tetraboride ‒ Does It Exist? Synthesis and Properties of a Carbon-Doped Calcium Tetraboride That Is Isotypic with the Known Rare Earth Tetraborides Inorganic Chemistry, 2006, 45, 3067-3073 |
| 1101153 | CIF | B9 Co3 H10 Na5 O39 P6 | P 63/m | 11.7691; 11.7691; 12.112 90; 90; 120 | 1452.8 | Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni) Inorganic Chemistry, 2006, 45, 3588-3593 |
| 1101154 | CIF | B9 H10 Mn3 Na5 O39 P6 | P 63/m | 11.9683; 11.9683; 12.1303 90; 90; 120 | 1504.76 | Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni) Inorganic Chemistry, 2006, 45, 3588-3593 |
| 1101155 | CIF | B9 H10 Na5 Ni3 O39 P6 | P 63/m | 11.7171; 11.7171; 12.0759 90; 90; 120 | 1435.79 | Yang, Miao; Yu, Jihong; Di, Jiancheng; Li, Jiyang; Chen, Peng; Fang, Qianrong; Chen, Yan; Xu, Ruren Syntheses, Structures, Ionic Conductivities, and Magnetic Properties of Three New Transition-Metal Borophosphates Na5(H3O){MII3[B3O3(OH)]3(PO4)6}·2H2O (MII = Mn, Co, Ni) Inorganic Chemistry, 2006, 45, 3588-3593 |
| 1101163 | CIF | Ba F Sb Se2 | P -1 | 6.1944; 6.3315; 13.804 85.34; 85.18; 89.82 | 537.67 | Kabbour, Houria; Cario, Laurent Ae~2~Sb~2~X~4~F~2~ (Ae = Sr, Ba): New Members of the Homologous Series Ae~2~M~1+n~X~3+n~F~2~ Designed from Rock Salt and Fluorite 2D Building Blocks Inorganic Chemistry, 2006, 45, 2713-2717 |
| 1101164 | CIF | ? | P 4/n m m :2 | 4.19264; 4.19264; 14.2145 90; 90; 90 | 249.866 | Kabbour, Houria; Cario, Laurent Ae~2~Sb~2~X~4~F~2~ (Ae = Sr, Ba): New Members of the Homologous Series Ae~2~M~1+n~X~3+n~F~2~ Designed from Rock Salt and Fluorite 2D Building Blocks Inorganic Chemistry, 2006, 45, 2713-2717 |
| 1101168 | CIF | Al2 O3 | F d -3 m | 7.932; 7.932; 7.932 90; 90; 90 | 499.05 | St210499->St100gnn |
| 1101169 | CIF | Al13 O82.1 V3 W5.98 | C 1 2/c 1 | 44.567; 25.766; 20.626 90; 104.526; 90 | 22928 | Jung-Ho Son; Young-Uk Kwon Crystal Engineering through Face Interactions between Tetrahedral and Octahedral Building Blocks: Crystal Structure of [ε-Al13O4(OH)24(H2O)12]2[V2W4O19]3(OH)2.27H2O Inorganic Chemistry, 2004, 43, 1929-1932 |
| 1101171 | CIF | H50.5 Nd3 O85.75 P2 W17 | P -1 | 14.297; 17.167; 19.49 82.95; 74.68; 78.4 | 4507.3 | Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations Inorganic Chemistry, 2006, 45, 2055-2060 |
| 1101172 | CIF | C20 H47 N4 Nd2 O74.5 P2 W17 | P -1 | 12.904; 12.951; 25.514 88.24; 76.11; 64.66 | 3728.4 | Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations Inorganic Chemistry, 2006, 45, 2055-2060 |
| 1101173 | CIF | C20 H47 La2 N4 O74.5 P2 W17 | P -1 | 12.97; 13.015; 25.484 88.25; 76.11; 64.29 | 3749.1 | Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations Inorganic Chemistry, 2006, 45, 2055-2060 |
| 1101174 | CIF | C20 H48 Eu2 N4 O75 P2 W17 | P -1 | 12.875; 12.914; 25.503 88.24; 76.29; 64.97 | 3721.1 | Lu, Ying; Xu, Yan; Li, Yangguang; Wang, Enbo; Xu, Xinxin; Ma, Ying New Polyoxometalate Compounds Built up of Lacunary Wells‒Dawson Anions and Trivalent Lanthanide Cations Inorganic Chemistry, 2006, 45, 2055-2060 |
| 1101175 | CIF | C0.5 H2 O2.5 P0.5 V0.5 | C m c m | 7.467; 13.8824; 9.3289 90; 90; 90 | 967.03 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101176 | CIF | C0.75 H3 O2.75 P0.5 V0.5 | I m m m | 7.4265; 9.3477; 16.793 90; 90; 90 | 1165.8 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101177 | CIF | C H4 O3 P0.5 V0.5 | C m c m | 7.4362; 19.1491; 9.3446 90; 90; 90 | 1330.64 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101178 | CIF | C1.25 H4.5 O3 P0.5 V0.5 | I m m m | 7.433; 9.3673; 21.8357 90; 90; 90 | 1520.36 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101179 | CIF | C3 H10 O6 P V | P 1 21/c 1 | 14.0943; 5.2746; 10.166 90; 94.606; 90 | 753.32 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101180 | CIF | C4.5 H10 O3.5 P V0.5 | I 4/m | 8.9297; 8.9297; 34.847 90; 90; 90 | 2778.6 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101181 | CIF | C4 H17.5 N O11.75 P2 V2 | C 1 2/c 1 | 14.5794; 10.2424; 18.7815 90; 98.837; 90 | 2771.3 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101182 | CIF | C4.5 H16 N O10.5 P2 V2 | C 1 2/c 1 | 15.5527; 10.0841; 18.7813 90; 104.423; 90 | 2852.7 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101183 | CIF | C5 H16.5 N O10.25 P2 V2 | C 1 2/c 1 | 15.2003; 10.2122; 18.5903 90; 103.53; 90 | 2805.7 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101184 | CIF | C5.5 H16 N O9.5 P2 V2 | C 1 2/c 1 | 15.712; 10.03; 18.656 90; 103.328; 90 | 2861 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101185 | CIF | C6 H16.5 N O9.25 P2 V2 | C 1 2/c 1 | 15.6403; 10.2112; 18.6795 90; 105.484; 90 | 2875 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101186 | CIF | C6.5 H17 N O9 P2 V2 | C 1 2/c 1 | 15.822; 10.0614; 18.6103 90; 104.292; 90 | 2870.9 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101187 | CIF | C4.5 H12.75 N O9 P2 V2 | C 1 2/c 1 | 15.2345; 10.1817; 18.6968 90; 103.524; 90 | 2819.7 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101188 | CIF | C4 H16 N O10.5 P2 V2 | C 1 2/c 1 | 15.003; 10.126; 18.604 90; 101; 90 | 2774.3 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101189 | CIF | C5 H15 N O9.5 P2 V2 | C 1 2/c 1 | 15.0877; 10.2027; 18.6376 90; 102.521; 90 | 2800.7 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101190 | CIF | C6 H17 N O9 P2 V2 | C 1 2/c 1 | 15.4228; 10.2047; 18.7078 90; 103.835; 90 | 2858.9 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101191 | CIF | C7 H19.5 N O9 P2 V2 | C 1 2/c 1 | 15.2768; 10.2216; 18.6279 90; 103.252; 90 | 2831.4 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101192 | CIF | C12 H32.75 N2 O18.75 P4 V4 | C m c 21 | 30.947; 10.6168; 18.604 90; 90; 90 | 6112.5 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101193 | CIF | C4 H11 N O7 P2 V | P 1 21/c 1 | 12.2895; 13.4657; 6.0846 90; 103.401; 90 | 979.5 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101194 | CIF | C6 H15 N O7 P2 V | P 1 21/c 1 | 14.6046; 13.4811; 6.0678 90; 98.73; 90 | 1180.82 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101195 | CIF | C8 H19 N O7 P2 V | P 1 21/c 1 | 16.941; 13.47; 6.0553 90; 95.026; 90 | 1376.5 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101196 | CIF | C9 H24 N2 O15 P4 V3 | P 1 21/c 1 | 16.3248; 13.3361; 10.1019 90; 89.994; 90 | 2199.3 | Ouellette, Wayne; Yu, Ming Hui; O'Connor, Charles J.; Zubieta, Jon Structural Diversity of the Oxovanadium Organodiphosphonate System: A Platform for the Design of Void Channels Inorganic Chemistry, 2006, 45, 3224-3239 |
| 1101219 | CIF | C258 H579 N17 O156 Si4 Ti8 W40 | P n a 21 | 29.166; 38.497; 37.405 90; 90; 90 | 41998.1 | Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate Inorganic Chemistry, 2006, 45, 2347-2356 |
| 1101220 | CIF | C100 H212 K8 O128 S2 Si2 Ti4 W20 | F d d d :2 | 33.2107; 35.4445; 85.0187 90; 90; 90 | 100079 | Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate Inorganic Chemistry, 2006, 45, 2347-2356 |
| 1101221 | CIF | C98 H200 K8 O126 Si2 Ti4 W20 | C 1 2/m 1 | 45.4319; 17.8884; 15.8179 90; 96.328; 90 | 12776.9 | Goto, Yuya; Kamata, Keigo; Yamaguchi, Kazuya; Uehara, Kazuhiro; Hikichi, Shiro; Mizuno, Noritaka Synthesis, Structural Characterization, and Catalytic Performance of Dititanium-Substituted γ-Keggin Silicotungstate Inorganic Chemistry, 2006, 45, 2347-2356 |
| 1101222 | CIF | C24 H118 Al6 N16 O65 P12 Zn3 | P -4 3 n | 16.7942; 16.7942; 16.7942 90; 90; 90 | 4736.72 | Lionel Beitone; Clarisse Huguenard; Axel Gansmüller; Marc Henry; Francis Taulelle; Thierry Loiseau; Gérard Férey Order-Disorder in the Super-Sodalite Zn3Al6(PO4)12, 4tren, 17H2O (MIL-74): A Combined XRD-NMR Assessment Journal of the American Chemical Society, 2003, 125, 9102-9110 |
| 1101223 | CIF | H1262 K43 Mo214 Na11 O1404 S12 V34 | C 1 2/m 1 | 46.324; 42.268; 41.896 90; 112.549; 90 | 75763 | Botar, Bogdan; Kögerler, Paul; Hill, Craig L. A Nanoring‒Nanosphere Molecule, {Mo~214~V~30~}: Pushing the Boundaries of Controllable Inorganic Structural Organization at the Molecular Level Journal of the American Chemical Society, 2006, 128, 5336-5337 |
| 1101224 | CIF | Mo3 Na2 O16 Te3 | I 1 2 1 | 7.3373; 11.2668; 8.2369 90; 97.387; 90 | 675.3 | Chi, Eun Ok; Ok, Kang Min; Porter, Yetta; Halasyamani, P. Shiv Na~2~Te~3~Mo~3~O~16~: A New Molybdenum Tellurite with Second-Harmonic Generating and Pyroelectric Properties Chemistry of Materials, 2006, 18, 2070-2074 |
| 1101226 | CIF | C48 H33 N12 O1.5 Zn | F d d 2 | 61.594; 15.968; 16.59 90; 90; 90 | 16317 | Qiong Ye; Yong-Hua Li; Yu-Mei Song; Xue-Feng Huang; Ren-Gen Xiong; Ziling Xue A Second-Order Nonlinear Optical Material Prepared through In Situ Hydrothermal Ligand Synthesis Inorganic Chemistry, 2005, 44, 3618-3625 |
| 1200001 | CIF | C14 H17 N O4 S | P b c a | 15.9407; 9.1737; 19.015 90; 90; 90 | 2780.7 | Gzella, Andrzej; Rozwadowska, Maria D.; Sulima, Agnieszka Two dihydro-5H-thiazolinono[2,3-a]isoquinoline S-oxides Acta Crystallographica, Section C, 2001, 57, 1454-1456 |
| 1200002 | CIF | Cu3 O8 P2 | P -1 | 4.85642; 5.29074; 6.18724 72.3626; 86.9965; 68.5473 | 140.7 | no bibliography |
| 1200003 | CIF | Cu2 O7 P2 | C 1 2/c 1 | 6.85128; 8.11775; 9.15352 90; 109.3; 90 | 480.481 | no bibliography |
| 1200005 | CIF | Al2 O3 | C 1 2/m 1 | 11.795; 2.91; 5.621 90; 103.79; 90 | 187.4 | Husson, E; Repelin, Y Structural studies of transition aluminas. Theta alumina European Journal of Solid State Inorganic Chemistry, 1996, 33, 1223-1231 |
| 1200006 | CIF | Al0.7 Ca Fe0.2 Mg0.6 O6 Si1.5 | C 1 2/c 1 | 9.794; 8.906; 5.319 90; 105.9; 90 | 446.2 | Peacor, D R Refinement of the Crystal Structure of a Pyroxene of Formula M1 M2 (Si1.5 Al.5) O6 American Mineralogist, 1967, 52, 31-41 |
| 1200007 | CIF | Al0.72 Ca2 Fe1.28 O5 | I b m 2 | 5.583; 14.58; 5.374 90; 90; 90 | 437.4 | Colville, A A; Geller, S Crystal structures of Ca~2~ Fe~1.43~ Al~0.57~ O~5~ and Ca~2~ Fe~1.28~ Al~0.72~ O~5~ Acta Crystallographica B (24,1968-38,1982), 1972, 28, 3196-3200 |
| 1200009 | CIF | Al Ca2 Fe O5 | I b m 2 | 5.584; 14.6; 5.374 90; 90; 90 | 438.1 | Colville, A A; Geller, S The Crystal Structure of Brownmillerite, Ca2 Fe Al O5 Acta Crystallographica B (24,1968-38,1982), 1971, 27, 2311-2315 |
| 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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