Information card for entry 4117572

Structure parameters

• Formula: C82 H52 Cl4 Co N8
• Calculated formula: C82 H52 Cl4 Co N8
• Title of publication: Proton-Coupled Electron-Transfer Reduction of Dioxygen Catalyzed by a Saddle-Distorted Cobalt Phthalocyanine
• Authors of publication: Tatsuhiko Honda; Takahiko Kojima; Shunichi Fukuzumi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 4196 - 4206
• a: 12.05 ± 0.002 Å
• b: 15.207 ± 0.003 Å
• c: 17.854 ± 0.004 Å
• α: 102.894 ± 0.003°
• β: 96.042 ± 0.003°
• γ: 100.331 ± 0.003°
• Cell volume: 3101.2 ± 1.1 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.2006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No