Information card for entry 4120911

Structure parameters

• Common name: Co7(OH)6(L)6(OTf)3_Co7(OH)6(L)6(OTf)2
• Formula: C123 H147 Co14 F15 N17 O51 S5
• Calculated formula: C123 H147 Co14 F15 N17 O51 S5
• Title of publication: Mechanism of Cobalt Self-Exchange Electron Transfer
• Authors of publication: Andrew M. Ullman; Daniel G. Nocera
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 15053 - 15061
• a: 13.9838 ± 0.0013 Å
• b: 15.2795 ± 0.0014 Å
• c: 19.4786 ± 0.0017 Å
• α: 91.293 ± 0.001°
• β: 105.887 ± 0.001°
• γ: 105.342 ± 0.001°
• Cell volume: 3840 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No