Information card for entry 4302600

Structure parameters

• Chemical name: tetrakis(μ-oxo)tetrakis(μ-benzoato)tetrakis-4-methylpyridine tetracobalt(III) 3.5MeOH 5H~2~O
• Formula: C55.5 H72 Co4 N4 O20.5
• Calculated formula: C52 H48 Co4 N4 O17
• 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: 23.7305 ± 0.0007 Å
• b: 15.1874 ± 0.0005 Å
• c: 20.724 ± 0.0007 Å
• α: 90°
• β: 123.298 ± 0.001°
• γ: 90°
• Cell volume: 6242.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1159
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1585
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No