Information card for entry 4322731

Structure parameters

• Formula: C60 H136 Cr Fe3 Mo6 O44
• Calculated formula: C60 H96 Cr Fe3 Mo6 O44
• SMILES: [c]12([c]3([c]4([c]5([c]1([Fe]16782345[c]2([c]1([c]6([c]7([c]82C)C)C)C)C)C)C)C)C)C.[Cr]12345[OH]6[Mo]78([OH]1[Mo]1(O7)(=O)(=O)[OH]4[Mo]4([OH]2[Mo]2([OH]3[Mo]3([OH]5[Mo]6(O8)(O3)(=O)=O)(O2)(=O)=O)(O4)(=O)=O)(O1)(=O)=O)(=O)=O.[c]12([c]3([c]4([c]5([c]1([Fe]16782345[c]2([c]1([c]6([c]7([c]82C)C)C)C)C)C)C)C)C)C.O.O.O.O.O.O.O.O.O.O.[c]12([c]3([c]4([c]5([c]1([Fe]16782345[c]2([c]1([c]6([c]7([c]82C)C)C)C)C)C)C)C)C)C.O.O.O.O.O.O.O.O.O.O
• 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: 12.489 ± 0.003 Å
• b: 14.113 ± 0.003 Å
• c: 15.662 ± 0.004 Å
• α: 101.55 ± 0.02°
• β: 105.82 ± 0.02°
• γ: 110.23 ± 0.02°
• Cell volume: 2355.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections: 0.1223
• Weighted residual factors for significantly intense reflections: 0.0968
• Goodness-of-fit parameter for all reflections: 1.001
• Goodness-of-fit parameter for significantly intense reflections: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No