Information card for entry 7110255

Structure parameters

• Formula: C20 H29 Cl3 Ru2
• Calculated formula: C20 H29 Cl3 Ru2
• SMILES: [Ru]123456([H][Ru]789%10%11([Cl]1)(Cl)([cH]1[cH]8[c]9([cH]%10[cH]%11[c]71C(C)C)C))(Cl)[c]1([cH]2[cH]3[c]4(C(C)C)[cH]5[cH]61)C
• Title of publication: Ruthenium catalyzed selective hydrosilylation of aldehydes
• Authors of publication: Basujit Chatterjee; Chidambaram Gunanathan
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 888
• a: 13.664 ± 0.0006 Å
• b: 15.9211 ± 0.0007 Å
• c: 19.2494 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4187.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No