Information card for entry 4322732

Structure parameters

• Formula: C20 H32 Cr Fe2 Mo6 Na O27
• Calculated formula: C20 H26 Cr Fe2 Mo6 Na1.46 O26
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.[Cr]12345[OH]6[Mo]78([OH]1[Mo]1(O7)(=O)(=O)[OH]4[Mo]4(=O)(=O)([OH]2[Mo]2(=O)(=O)([OH]3[Mo]3(=O)(=O)(O[Mo]6(=O)(=O)([OH]53)O8)O2)O4)O1)(=O)=O.O.[Na+].O.[cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.[Na+]
• 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: 10.015 ± 0.002 Å
• b: 7.722 ± 0.006 Å
• c: 25.137 ± 0.005 Å
• α: 90°
• β: 90.626 ± 0.009°
• γ: 90°
• Cell volume: 1943.9 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2227
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections: 0.3574
• Weighted residual factors for significantly intense reflections: 0.1586
• Goodness-of-fit parameter for all reflections: 0.977
• Goodness-of-fit parameter for significantly intense reflections: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No