Information card for entry 4124944

Structure parameters

• Formula: C160 H146 Cl11 Co10 N30 O102 P5
• Calculated formula: C160 H146 Cl11.004 Co10 N30 O102 P5
• Title of publication: Probing Edge Site Reactivity of Oxidic Cobalt Water Oxidation Catalysts.
• Authors of publication: Ullman, Andrew M.; Brodsky, Casey N.; Li, Nancy; Zheng, Shao-Liang; Nocera, Daniel G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 12
• Pages of publication: 4229
• a: 13.602 ± 0.004 Å
• b: 34.516 ± 0.011 Å
• c: 24.963 ± 0.008 Å
• α: 90°
• β: 105.046 ± 0.005°
• γ: 90°
• Cell volume: 11318 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1089
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.2072
• Weighted residual factors for all reflections included in the refinement: 0.228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No