Information card for entry 7126173

Structure parameters

• Formula: C66 H44 F8 N6 Ru
• Calculated formula: C65.994 H43.994 F8 N6 Ru
• Title of publication: The first crystallographically characterised ruthenium(vi) alkylimido porphyrin competent for aerobic epoxidation and hydrogen atom abstraction.
• Authors of publication: Shing, Ka-Pan; Wan, Qingyun; Chang, Xiao-Yong; Che, Chi-Ming
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 32
• Pages of publication: 4428 - 4431
• a: 12.6211 ± 0.0004 Å
• b: 12.9645 ± 0.0004 Å
• c: 17.2046 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2815.12 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No