Information card for entry 7116026

Structure parameters

• Formula: C60 H44 Cl4 Co2 N12 O18
• Calculated formula: C60 H40 Cl4 Co2 N12 O18
• Title of publication: Photoinduced water oxidation catalyzed by a double-helical dicobalt(II) sexipyridine complex
• Authors of publication: Man Chen; Siu-Mui Ng; Shek-Man Yiu; Kai-Chung Lau; Raymond J. Zeng; Tai-Chu Lau
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 14956
• a: 23.5247 ± 0.0002 Å
• b: 23.5247 ± 0.0002 Å
• c: 45.7102 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25296.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.1909
• 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