Information card for entry 7240091

Structure parameters

• Formula: C43 H34 Cl3 F6 N5 P Ru
• Calculated formula: C43 H34 Cl3 F6 N5 P Ru
• Title of publication: The visible-light-driven transfer hydrogenation of nicotinamide cofactors with a robust ruthenium complex photocatalyst
• Authors of publication: Dong, Wenjin; Tang, Jie; Zhao, Lijun; Chen, Fushan; Deng, Li; Xian, Mo
• Journal of publication: Green Chemistry
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 7
• Pages of publication: 2279 - 2287
• a: 13.592 ± 0.0011 Å
• b: 13.6081 ± 0.0011 Å
• c: 14.0589 ± 0.0012 Å
• α: 64.306 ± 0.002°
• β: 73.922 ± 0.004°
• γ: 64.168 ± 0.003°
• Cell volume: 2096.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1117
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1569
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No