Information card for entry 4130399

Structure parameters

• Formula: C33.5 H36 Cl4 F6 N4 O3.5 P Ru
• Calculated formula: C33.5 H36 Cl4 F6 N4 O3.5 P Ru
• Title of publication: Four-Electron Oxidation of Phenols to p-Benzoquinone Imines by a (Salen)ruthenium(VI) Nitrido Complex.
• Authors of publication: Xie, Jianhui; Man, Wai-Lun; Wong, Chun-Yuen; Chang, Xiaoyong; Che, Chi-Ming; Lau, Tai-Chu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 18
• Pages of publication: 5817 - 5820
• a: 12.1017 ± 0.0004 Å
• b: 12.7507 ± 0.0004 Å
• c: 14.0794 ± 0.0005 Å
• α: 71.154 ± 0.001°
• β: 82.268 ± 0.001°
• γ: 71.918 ± 0.001°
• Cell volume: 1953.09 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.2049
• Weighted residual factors for all reflections included in the refinement: 0.2063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No