Information card for entry 4071845

Structure parameters

• Formula: C36 H34 N2 Ru2
• Calculated formula: C36 H34 N2 Ru2
• SMILES: [Ru]1234567([NH]8[Ru]9%10%11%12%13([NH]1[C@@H](c1c2ccc2ccccc12)C)(c1ccc2ccccc2c1[C@H]8C)[cH]1[cH]9[cH]%10[cH]%11[cH]%12[cH]%131)[cH]1[cH]3[cH]4[cH]5[cH]6[cH]71
• Title of publication: Kinetics and Mechanism of Ruthenacycle-Catalyzed Asymmetric Hydrogen Transfer
• Authors of publication: Pannetier, Nicolas; Sortais, Jean-Baptiste; Dieng, Pape Sylla; Barloy, Laurent; Sirlin, Claude; Pfeffer, Michel
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5852
• a: 7.722 ± 0.0001 Å
• b: 13.556 ± 0.0003 Å
• c: 13.251 ± 0.0003 Å
• α: 90°
• β: 91.012 ± 0.0009°
• γ: 90°
• Cell volume: 1386.89 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No