Information card for entry 4336523

Structure parameters

• Common name: michael027
• Chemical name: michael027
• Formula: C11 H28 F6 Mn N4 O2 P S
• Calculated formula: C11 H28 F6 Mn N4 O2 P S
• Title of publication: Synthesis and Structural Characterization of a Series of MnIIIOR Complexes, Including a Water-Soluble MnIIIOH That Promotes Aerobic Hydrogen-Atom Transfer
• Authors of publication: Michael K. Coggins; Lisa M. Brines; Julie A. Kovacs
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12383 - 12393
• a: 8.5318 ± 0.0006 Å
• b: 16.6962 ± 0.0013 Å
• c: 13.7039 ± 0.001 Å
• α: 90°
• β: 94.552 ± 0.003°
• γ: 90°
• Cell volume: 1945.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0225
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No