Information card for entry 7118344

Structure parameters

• Formula: C184 H162 Co6 Mn6 N24 O32 S8
• Calculated formula: C168 H120 Co6 Mn6 N24 O24
• Title of publication: An S = 12 semiquinoid radical-bridged Mn6 wheel complex assembled from an asymmetric redox-active bridging ligand.
• Authors of publication: Jeon, Ie-Rang; David Harris, T.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1006 - 1008
• a: 23.1209 ± 0.0012 Å
• b: 23.1209 ± 0.0012 Å
• c: 27.281 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12629.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1767
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2452
• Weighted residual factors for all reflections included in the refinement: 0.2923
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No