Information card for entry 4304194

Structure parameters

• Formula: Fe H140 Mo36 N22 O172 Sb12
• Calculated formula: Fe Mo36 O190 Sb12
• SMILES: O=[Mo]123(=O)O[Mo]45(=O)(=O)[O]6[Mo](=O)(O[Mo]789%10=[O][Fe]%11([O]=[Mo]%12%13(O8)(=O)O[Mo]8%14([O]1[Sb]16([O]9%12)([O]25)O[Mo]256([O]9[Sb]%12%15%16([O]81)[O]([Mo]18(=O)([O]%13[Sb]%13%17%189[O]%10[Mo]9(=O)([O]%10[Sb]%19%20%21%22[O]%23[Mo]%24(=O)(O[Mo]%23(=O)(=O)(O7)O[Mo]7%10([O]%20[Mo]%10(O7)([O]7%22[Sb]([O]%189)O[Sb]([O]8%17)[O]8[Mo](O%24)(=O)([O]%19[Mo]78(=O)(O%10)=O)([O]%13%21)O1)(=O)=O)(=O)=O)=O)(O2)=O)=O)[Mo]1(O%14)(=O)([O]%15[Mo]2(=O)(O[Mo]([O]5%12)(=O)(O6)([O]%162)=O)(O1)=O)=O)=O)(=O)O3)([OH2])([O]=[Mo]1235O[Mo]67(O[Mo]8(=O)(=O)[O]7[Sb]79%10%12[O]%13[Mo]%14%15(O8)(=O)[O]%10[Sb]8%10%16%17[O]%18[Mo]%19(=[O]%11)(O1)(=O)O[Mo]1%11%20([O]%21[Mo]%22(=O)(=O)(O[Mo]%23%24(=O)(=O)[O]([Mo](=O)(O3)(O%23)=O)[Sb]3%21([O]2%19)([O]%22%24)O[Mo]2%19%21([O]%10[Sb]%10%22%23([O]%113)[O]([Mo]%18(=O)(O%14)(=O)[O]%16[Sb]3[O]%15[Mo]%11%13([O]%13%12[Sb]([O]%17[Mo]([O]58)(=O)([O]9[Mo]5(O6)([O]7[Mo]%13(O5)(O%11)(=O)=O)(=O)=O)(O2)=O)O3)(=O)=O)[Mo]2(O%20)(=O)([O]%22[Mo]3(=O)(O[Mo]([O]%19%10)(=O)(O%21)([O]%233)=O)(O2)=O)=O)=O)O1)=O)(=O)=O)[OH2])(O4)=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: 13.834 ± 0.003 Å
• b: 17.908 ± 0.003 Å
• c: 19.789 ± 0.004 Å
• α: 69.633 ± 0.003°
• β: 82.564 ± 0.003°
• γ: 69.733 ± 0.002°
• Cell volume: 4311.3 ± 1.5 ų
• Cell temperature: 273 ± 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: 0.0612
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No