Information card for entry 7708401

Structure parameters

• Formula: C58 H84 Co4 N6 O31
• Calculated formula: C58 H84 Co4 N6 O31
• Title of publication: Facile water oxidation by dinuclear mixed-valence CoIII/CoII complexes: the role of coordinated water
• Authors of publication: Dey, Atanu; Guha, Anku; Kumar, Vierandra; Bawari, Sumit; Narayanan, Tharangattu N.; Chandrasekhar, Vadapalli
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 8.9294 ± 0.0002 Å
• b: 10.1492 ± 0.0003 Å
• c: 19.8943 ± 0.0005 Å
• α: 85.875 ± 0.002°
• β: 89.344 ± 0.002°
• γ: 74.882 ± 0.002°
• Cell volume: 1735.99 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No