Information card for entry 4118102

Structure parameters

• Formula: C45 H41 Co2 F12 N10 O13 P S2
• Calculated formula: C45 H41 Co2 F12 N10 O13 P S2
• Title of publication: Catalytic Four-Electron Reduction of O2 via Rate-Determining Proton-Coupled Electron Transfer to a Dinuclear Cobalt-μ-1,2-peroxo Complex
• Authors of publication: Shunichi Fukuzumi; Sukanta Mandal; Kentaro Mase; Kei Ohkubo; Hyejin Park; Jordi Benet-Buchholz; Wonwoo Nam; Antoni Llobet
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 9906 - 9909
• a: 14.0028 ± 0.0006 Å
• b: 14.0551 ± 0.0006 Å
• c: 16.0751 ± 0.0007 Å
• α: 84.39 ± 0.002°
• β: 72.006 ± 0.002°
• γ: 61.058 ± 0.002°
• Cell volume: 2628.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.208
• Weighted residual factors for all reflections included in the refinement: 0.2368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No