Information card for entry 4126174

Structure parameters

• Common name: ain8159
• Formula: C30 H36 Cl4 Co3 F6 Mn N4 O12 P
• Calculated formula: C30 H36 Cl4 Co3 F6 Mn N4 O12 P
• Title of publication: Manganese-Cobalt Oxido Cubanes Relevant to Manganese-Doped Water Oxidation Catalysts.
• Authors of publication: Nguyen, Andy I.; Suess, Daniel L. M.; Darago, Lucy E.; Oyala, Paul H.; Levine, Daniel S.; Ziegler, Micah S.; Britt, R. David; Tilley, T. Don
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 15
• Pages of publication: 5579 - 5587
• a: 11.348 ± 0.005 Å
• b: 25.096 ± 0.014 Å
• c: 15.243 ± 0.007 Å
• α: 90°
• β: 99.341 ± 0.009°
• γ: 90°
• Cell volume: 4283 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No