Information card for entry 4325571

Structure parameters

• Formula: C66 H87 Cl6 Co4 N15 O32
• Calculated formula: C66 H87 Cl6 Co4 N15 O32
• 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: 25.6695 ± 0.0003 Å
• b: 12.3859 ± 0.0001 Å
• c: 13.8812 ± 0.0002 Å
• α: 90°
• β: 102.619 ± 0.001°
• γ: 90°
• Cell volume: 4306.78 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No