Information card for entry 4103586

Structure parameters

• Formula: C20 H28 Cl N2 O P Ru
• Calculated formula: C20 H28 Cl N2 O P Ru
• SMILES: [RuH]12(Cl)([P](Cc3[n]2c(c2[n]1cccc2)ccc3)(C(C)(C)C)C(C)(C)C)C#[O]
• Title of publication: Direct Hydrogenation of Amides to Alcohols and Amines under Mild Conditions
• Authors of publication: Ekambaram Balaraman; Boopathy Gnanaprakasam; Linda J. W. Shimon; David Milstein
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 16756 - 16758
• a: 8.138 ± 0.0002 Å
• b: 14.3161 ± 0.0002 Å
• c: 17.5802 ± 0.0003 Å
• α: 90°
• β: 92.253 ± 0.001°
• γ: 90°
• Cell volume: 2046.59 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No