Information card for entry 4348483

Structure parameters

• Formula: C27 H25 F3 Mn N6 O4 S
• Calculated formula: C27 H25 F3 Mn N6 O4 S
• Title of publication: Steric and Electronic Influence on Proton-Coupled Electron-Transfer Reactivity of a Mononuclear Mn(III)-Hydroxo Complex.
• Authors of publication: Rice, Derek B.; Wijeratne, Gayan B.; Burr, Andrew D.; Parham, Joshua D.; Day, Victor W.; Jackson, Timothy A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 16
• Pages of publication: 8110 - 8120
• a: 11.9552 ± 0.0016 Å
• b: 14.164 ± 0.002 Å
• c: 18.528 ± 0.003 Å
• α: 107.482 ± 0.004°
• β: 90.366 ± 0.004°
• γ: 109.556 ± 0.004°
• Cell volume: 2799.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0543
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No