Information card for entry 4325573

Structure parameters

• Formula: C78 H114 Cl8 Co6 N18 O49
• Calculated formula: C78 H114 Cl8 Co6 N18 O49
• Title of publication: Dinuclear Co(II)Co(III) Mixed-Valence and Co(III)Co(III) Complexes with N- and O-Donor Ligands: Characterization and Water Oxidation Studies
• Authors of publication: Jia Luo; Nigam P. Rath; Liviu M. Mirica
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6152 - 6157
• a: 10.3815 ± 0.0009 Å
• b: 21.1122 ± 0.0019 Å
• c: 23.366 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5121.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No