Information card for entry 4304195

Structure parameters

• Formula: Cu H140 Mo36 N22 O172 Sb12
• Calculated formula: Cu Mo36 O193 Sb12
• SMILES: O=[Mo]123(=O)O[Mo]45(=O)([O]6[Sb]789([O]1[Mo](=O)(O[Mo]1%10%11%12=[O][Cu]%13([OH2])([O]=[Mo]%14(O1)([O]7%11)([O]1[Sb]7%11%15%16[O]%12[Mo]%12%17(=O)([O]%18[Mo]%19%20(O[Mo]%21(=O)(O[Mo]%22([O]%21[Sb]%21%23%24%18[O]%19[Mo]%18([O]%19%24[Sb]([O]%15%17)O[Sb]%15[O]%16[Mo]1([O]1[Sb]%16%17%24%25[O]8[Mo]6(=O)(O%14)(O5)O[Mo]51(=O)(=O)[O]%17[Mo]1(O[Mo]6([O]%24[Mo](O9)(O%12)([O]%11%16)(=O)O6)(=O)([O]%251)=O)(=O)(O5)=O)(=O)(O[Mo]1([O]%21[Mo]%19([O]%151)(O%18)(=O)=O)([O]7%23)(O%22)=O)=O)(O%20)(=O)=O)(=O)=O)(=O)O%10)(=O)=O)=O)=O)([O]=[Mo]156(=O)O[Mo]789(=[O]%13)O[Mo]%10%11(=O)(O[Mo]%12(=O)(=O)O[Mo]%13%14%15([O]%16[Sb]%17%18%19([O]%10%12)[O]%10[Mo]%12(O%11)(=O)([O]%18[Mo]%11%18(=O)([O]9[Sb]9%20%21([O]6[Mo](=O)(O%13)([O]6[Sb]%13%22%23%24[O]%25[Mo]%26%27(=O)([O]%28[Mo]%29(=O)(=O)(O[Mo]%30%31(=O)(=O)[O]([Mo](=O)(O7)(O%31)=O)[Sb]%25%28([O]18)([O]%29%30)O[Mo]1(O%11)([O]9%13)([O]%23[Mo]7(=O)(O[Mo]8([O]%22[Mo]6(O%27)(=O)(=O)O8)(=O)([O]%247)=O)(O1)=O)=O)O%26)O5)([O]%21[Sb]1[O]%15[Mo]5%16([O]%19([Sb]([O]%18%20)O1)[Mo]%10(O%12)(=O)(O5)=O)(=O)=O)=O)[O]%14%17)=O)=O)=O)=O)[OH2])(O3)=O)[O]24)=O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: An Unusual Asymmetric Polyoxomolybdate Containing Mixed-Valence Antimony and Its Derivatives: [Sb4VSb2IIIMo18O73(H2O)2]12- and {M(H2O)2[Sb4VSb2IIIMo18O73(H2O)2]2}22- (M = MnII, FeII, CuII or CoII)
• Authors of publication: Ganglin Xue; Xuemei Liu; Haisheng Xu; Huaiming Hu; Feng Fu; Jiwu Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2011 - 2016
• a: 13.7778 ± 0.0017 Å
• b: 17.945 ± 0.002 Å
• c: 19.818 ± 0.003 Å
• α: 69.621 ± 0.002°
• β: 82.432 ± 0.002°
• γ: 69.481 ± 0.002°
• Cell volume: 4301.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No