Information card for entry 7106101

Structure parameters

• Formula: C58 H69 Mn9 N6 O28.5
• Calculated formula: C57.99 H68.97 Mn9 N6 O28.51
• Title of publication: Chiral single-molecule magnets: a partial Mn(III) supertetrahedron from achiral components
• Authors of publication: Ross Inglis; Fraser White; Stergios Piligkos; Wolfgang Wernsdorfer; Euan K. Brechin; Giannis S. Papaefstathiou
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3090
• a: 25.729 ± 0.004 Å
• b: 25.729 ± 0.004 Å
• c: 25.729 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17032 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No