Information card for entry 4333583

Structure parameters

• Formula: C60 H108 Mn8 O33
• Calculated formula: C60 H108 Mn8 O33
• 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: 15.01 ± 0.002 Å
• b: 21.876 ± 0.004 Å
• c: 26.275 ± 0.004 Å
• α: 90°
• β: 98.75 ± 0.008°
• γ: 90°
• Cell volume: 8527 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0502
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No