Information card for entry 4338255

Structure parameters

• Formula: C81 H134 K2 N8 O22.5
• Calculated formula: C80.996 H133.992 K2 N8 O22.499
• Title of publication: Electron-transfer studies of a peroxide dianion.
• Authors of publication: Ullman, Andrew M.; Sun, Xianru; Graham, Daniel J.; Lopez, Nazario; Nava, Matthew; De Las Cuevas, Rebecca; Müller, Peter; Rybak-Akimova, Elena V; Cummins, Christopher C.; Nocera, Daniel G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 5384 - 5391
• a: 42.234 ± 0.005 Å
• b: 19.969 ± 0.002 Å
• c: 26.348 ± 0.003 Å
• α: 90°
• β: 125.109 ± 0.002°
• γ: 90°
• Cell volume: 18178 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.095
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No