Information card for entry 4322730

Structure parameters

• Formula: C12 H42 Cr Mo6 Na3 O30 S6
• Calculated formula: C12 H42 Cr Mo6 Na3 O30 S6
• SMILES: CS(C)=[O][Na][O]=S(C)C.CS(C)=[O][Na][O]=S(C)C.[Cr]12345[OH]6[Mo]78([OH]4[Mo]4([OH]2[Mo]2(O[Mo]9([OH]1[Mo]1(O9)(O[Mo]6([OH]51)(O7)(=O)=O)(=O)=O)(=O)(=O)[OH]32)(=O)(=O)O4)(O8)(=O)=O)(=O)=O.CS(C)=[O][Na][O]=S(C)C
• Title of publication: Preparation, Crystal Structures, and Magnetic and ESR Properties of Molecular Assemblies of Ferrocenium Derivatives and Paramagnetic Polyoxometalates
• Authors of publication: Stéphane Golhen; Lahcène Ouahab; Daniel Grandjean; Philippe Molinié
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 1499 - 1506
• a: 25.374 ± 0.02 Å
• b: 14.632 ± 0.002 Å
• c: 15.455 ± 0.006 Å
• α: 90°
• β: 123.17 ± 0.04°
• γ: 90°
• Cell volume: 4803 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0353
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for all reflections: 0.0933
• Weighted residual factors for significantly intense reflections: 0.0891
• Goodness-of-fit parameter for all reflections: 1.185
• Goodness-of-fit parameter for significantly intense reflections: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No