Information card for entry 4106852

Structure parameters

• Formula: C31.5 H34 Cl2 N2 O3 Ru S
• Calculated formula: C31.5 H34 Cl2 N2 O3 Ru S
• Title of publication: Oxo-Tethered Ruthenium(II) Complex as a Bifunctional Catalyst for Asymmetric Transfer Hydrogenation and H2 Hydrogenation
• Authors of publication: Taichiro Touge; Tomohiko Hakamata; Hideki Nara; Tohru Kobayashi; Noboru Sayo; Takao Saito; Yoshihito Kayaki; Takao Ikariya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 14960 - 14963
• a: 13.0299 ± 0.0013 Å
• b: 18.2188 ± 0.0018 Å
• c: 12.7153 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3018.5 ± 0.5 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No