Information card for entry 4333584

Structure parameters

• Formula: C73 H133 Mn9 O35
• Calculated formula: C73 H133 Mn9 O35
• Title of publication: Comproportionation Reactions to Manganese(III/IV) Pivalate Clusters: A New Half-Integer Spin Single-Molecule Magnet
• Authors of publication: Shreya Mukherjee; Khalil A. Abboud; Wolfgang Wernsdorfer; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 873 - 884
• a: 20.555 ± 0.003 Å
• b: 68.895 ± 0.009 Å
• c: 21.549 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 30516 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No