Information card for entry 4340442

Structure parameters

• Formula: C72 H57 F9 Mn3 N15 O12 S3
• Calculated formula: C72 H57 F9 Mn3 N15 O12 S3
• Title of publication: Saturation Kinetics in Phenolic O-H Bond Oxidation by a Mononuclear Mn(III)-OH Complex Derived from Dioxygen.
• Authors of publication: Wijeratne, Gayan B.; Corzine, Briana; Day, Victor W.; Jackson, Timothy A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7622 - 7634
• a: 28.6094 ± 0.0009 Å
• b: 9.2197 ± 0.0003 Å
• c: 28.526 ± 0.0009 Å
• α: 90°
• β: 100.55 ± 0.001°
• γ: 90°
• Cell volume: 7397.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No