Information card for entry 7711021

Structure parameters

• Formula: C28 H31 Cl N2 O2.5 Ru S2
• Calculated formula: C28 H31 Cl N2 O2.5 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: 11.94996 ± 0.00008 Å
• b: 12.97812 ± 0.0001 Å
• c: 19.21709 ± 0.00012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2980.34 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No