Information card for entry 2203765

Structure parameters

• Chemical name: Bis(tetramethylammonium) hexaaquacobalt(II) β-octamolybdate(vi)
• Formula: C8 H36 Co Mo8 N2 O32
• Calculated formula: C8 H36 Co Mo8 N2 O32
• SMILES: C[N+](C)(C)C.C[N+](C)(C)C.O=[Mo]123(=O)[O]4[Mo]567(O[Mo]89([O]%10%116[Mo]6%12(O[Mo]%13(=O)(O[Mo]%14(=O)(=O)([O]7[Mo]%10(=O)(=O)([O]%12%14)O8)[O]256%13)(=O)O3)([O]1[Mo]4%11(=O)(=O)O9)=O)(=O)=O)=O.[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]
• Title of publication: Bis(tetramethylammonium) hexaaquacobalt(II) β-octamolybdate(VI)
• Authors of publication: Shu-Mei Chen; Can-Zhong Lu; Ya-Qin Yu; Quan-Zheng Zhang; Xiang He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m723 - m725
• a: 16.0338 ± 0.001 Å
• b: 13.64 ± 0.0008 Å
• c: 16.6764 ± 0.001 Å
• α: 90°
• β: 96.779 ± 0.001°
• γ: 90°
• Cell volume: 3621.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No