Information card for entry 1505849

Structure parameters

• Formula: C107 H90.5 Ag Cl9.5 F7.5 N4 O9.5 P4 Ru2 S2.5
• Calculated formula: C107 H90.5 Ag Cl9.5 F7.5 N4 O9.5 P4 Ru2 S2.5
• Title of publication: "Achiral" benzophenone ligand for highly enantioselective Ru catalysts in ketone hydrogenation.
• Authors of publication: Mikami, Koichi; Wakabayashi, Kazuki; Aikawa, Kohsuke
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 1517 - 1519
• a: 20.9715 ± 0.0016 Å
• b: 39.437 ± 0.003 Å
• c: 13.8177 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11428 ± 1.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 10
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.2099
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No