Information card for entry 4336526

Structure parameters

• Common name: michael069
• Chemical name: michael069
• Formula: C19 H32 F6 Mn N6 O3 P S
• Calculated formula: C19 H32 F6 Mn N6 O3 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: 31.099 ± 0.002 Å
• b: 14.0709 ± 0.0008 Å
• c: 12.1715 ± 0.0007 Å
• α: 90°
• β: 91.213 ± 0.004°
• γ: 90°
• Cell volume: 5324.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No