Information card for entry 7116763

Structure parameters

• Formula: C37 H51 F3 Mn N7 O4 S
• Calculated formula: C37 H51 F3 Mn N7 O4 S
• 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: 13.1912 ± 0.0013 Å
• b: 13.5415 ± 0.0014 Å
• c: 23.494 ± 0.002 Å
• α: 93.278 ± 0.003°
• β: 103.037 ± 0.003°
• γ: 104.963 ± 0.003°
• Cell volume: 3920.1 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1512
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.2393
• Weighted residual factors for all reflections included in the refinement: 0.2761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No