Information card for entry 7116764

Structure parameters

• Formula: C48 H74 K Mn N7 O4
• Calculated formula: C48 H74 K Mn N7 O4
• Title of publication: Exploring Mn-O bonding in the context of an electronically flexible secondary coordination sphere: synthesis of a Mn(III)-oxo
• Authors of publication: Yun Ji Park; Ellen M. Matson; Mark J. Nilges; Alison R. Fout
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 5310
• a: 23.141 ± 0.003 Å
• b: 9.7932 ± 0.0014 Å
• c: 22.661 ± 0.003 Å
• α: 90°
• β: 105.914 ± 0.0018°
• γ: 90°
• Cell volume: 4938.7 ± 1.2 ų
• Cell temperature: 174 ± 2 K
• Ambient diffraction temperature: 174 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No