Information card for entry 4302599

Structure parameters

• Chemical name: tetrakis(μ-oxo)tetrakis(μ-benzoato)tetrakispyridine tetracobalt(III) 6MeOH 0.5H~2~O
• Formula: C54 H64 Co4 N4 O18.5
• Calculated formula: C54 H64 Co4 N4 O18.5
• Title of publication: Catalytic Properties of Cobalt(III)-Oxo Cubanes in the TBHP Oxidation of Benzylic Alcohols
• Authors of publication: Rajesh Chakrabarty; Purabi Sarmah; Bapan Saha; Stutee Chakravorty; Birinchi K. Das
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6371 - 6379
• a: 11.12 ± 0.003 Å
• b: 14.859 ± 0.003 Å
• c: 18.726 ± 0.004 Å
• α: 87.64 ± 0.04°
• β: 86.17 ± 0.04°
• γ: 73.17 ± 0.04°
• Cell volume: 2954.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0609
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No