Information card for entry 4104271

Structure parameters

• Formula: C28 H40 Cl N O P2 Ru
• Calculated formula: C28 H40 Cl N O P2 Ru
• SMILES: [RuH]12(Cl)([P](Cc3cccc4cc5cccc(c5[n]2c34)C[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)C#[O]
• Title of publication: Direct Conversion of Alcohols to Acetals and H2 Catalyzed by an Acridine-Based Ruthenium Pincer Complex
• Authors of publication: Chidambaram Gunanathan; Linda J. W. Shimon; David Milstein
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 3146 - 3147
• a: 15.2986 ± 0.0002 Å
• b: 17.1817 ± 0.0003 Å
• c: 21.8206 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5735.67 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.054
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No