Information card for entry 4332483

Structure parameters

• Formula: C24 H72 F6 Mo14 N6 Na4 O56
• Calculated formula: C24 H72 F6 Mo14 N6 Na4 O56
• SMILES: [Mo]1234([F]56[Mo]78(O2)(O[Mo]29([F]%10[Mo]%11(O2)(O[Mo]2%12([F]([Mo](O1)(O2)(=O)(=O)[O]4[Mo]([O]%11%12)([O]89)=O)[Na]15%10([OH2][Na]245([F]8[Mo]9%10(O[Mo]%118(O[Mo]8%12%13([F]%142[Mo]2(O[Mo]%15%16([F]4[Mo](O9)(O%15)(=O)(=O)[O]%10[Mo]([O]2%16)([O]%11%13)=O)(=O)=O)(O8)(=O)=[O][Na]%14([O]=%12)([OH2]5)([OH2])[OH2])=O)(=O)=O)(=O)=O)[OH2]1)[OH2][Na]6([O]=7)([O]=3)([OH2])[OH2])(=O)=O)(=O)=O)(=O)=O)=O)=O.O.O.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C.O.O.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C
• Title of publication: Synthesis and Characterization of Novel Fluorinated Poly(oxomolybdates)
• Authors of publication: Michailovski, Alexej; Rüegger, Heinz; Sheptyakov, Denis; Patzke, Greta R.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5641 - 5652
• a: 19.141 ± 0.005 Å
• b: 13.982 ± 0.003 Å
• c: 32.214 ± 0.008 Å
• α: 90°
• β: 99.474 ± 0.005°
• γ: 90°
• Cell volume: 8504 ± 4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No