Information card for entry 4072477

Structure parameters

• Formula: C31 H41 Cl2 N4 O P Ru S
• Calculated formula: C31 H41 Cl2 N4 O P Ru S
• SMILES: [Ru]12(Cl)(Cl)([P](c3c(cccc3)C[NH]1[C@H]1[C@H]([NH2]2)CCCC1)(c1ccccc1)c1ccccc1)[S](=O)(C)C.N#CC.N#CC
• Title of publication: Hydrogenation of Aldehydes, Esters, Imines, and Ketones Catalyzed by a Ruthenium Complex of a Chiral Tridentate Ligand
• Authors of publication: Clarke, Matthew L.; Díaz-Valenzuela, M. Belén; Slawin, Alexandra M. Z.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 16
• a: 9.6872 ± 0.0013 Å
• b: 14.333 ± 0.002 Å
• c: 24.351 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3381.1 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 8
• 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: 0.0531
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No