Information card for entry 4124943

Structure parameters

• Formula: C32 H33 Co2 F18 N6 O6.88 P3
• Calculated formula: C32 H33 Co2 F18 N6 O6.88 P3
• 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: 16.8026 ± 0.0017 Å
• b: 26.903 ± 0.003 Å
• c: 18.9027 ± 0.0019 Å
• α: 90°
• β: 93.495 ± 0.002°
• γ: 90°
• Cell volume: 8528.9 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0417
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No