Information card for entry 7711023

Structure parameters

• Formula: C32.5 H35 Cl N2 O2.75 Ru S2
• Calculated formula: C32.5 H35 Cl N2 O2.75 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: 9.78513 ± 0.00004 Å
• b: 11.79817 ± 0.00005 Å
• c: 14.04533 ± 0.00005 Å
• α: 90°
• β: 99.3866 ± 0.0004°
• γ: 90°
• Cell volume: 1599.78 ± 0.011 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No