Information card for entry 2010677

Structure parameters

• Chemical name: Bis(tetramethylammonium)Nonadecaoxohexamolybdenum(VI) Solvate Hydrate
• Formula: C8 H24 Mo6 N2 O20
• Calculated formula: C8 H24 Mo6 N2 O20
• SMILES: C[N+](C)(C)C.[O]12345[Mo]678(O[Mo]9%103(O[Mo]3%111(O[Mo]2(O6)(O[Mo]4(O7)(O3)(O9)=O)(O[Mo]5(O8)(O%11)(O%10)=O)=O)=O)=O)=O.O.C[N+](C)(C)C
• Title of publication: Bis(tetramethylammonium) nonadecaoxohexamolybdenum(VI) monohydrate
• Authors of publication: Wu, Dingming; Wang, Sheng; Lin, Xiang; Lu, Canzhong; Zhuang, Honghui
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: e55 - e56
• a: 13.8148 ± 0.0016 Å
• b: 13.8148 ± 0.0016 Å
• c: 13.8148 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2636.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.326
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes