Information card for entry 7711025

Structure parameters

• Formula: C29 H34 Cl N3 O3 Ru S2
• Calculated formula: C29 H34 Cl N3 O3 Ru S2
• Title of publication: Heterocycle-containing Noyori-Ikariya Catalysts for Asymmetric Transfer Hydrogenation of Ketones
• Authors of publication: Khamis, Noha; Clarkson, Guy James; Wills, Martin
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 16.9078 ± 0.0001 Å
• b: 16.9078 ± 0.0001 Å
• c: 19.2787 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4772.9 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No