Information card for entry 4325572

Structure parameters

• Formula: C52 H68 Cl4 Co4 N12 O29 P2
• Calculated formula: C52 H60 Cl4 Co4 N12 O29 P2
• 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: 13.9716 ± 0.0011 Å
• b: 9.8247 ± 0.0008 Å
• c: 24.678 ± 0.0019 Å
• α: 90°
• β: 93.212 ± 0.002°
• γ: 90°
• Cell volume: 3382.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No