Information card for entry 7706534

Structure parameters

• Formula: C26 H22 Cl N2 O3 P Ru
• Calculated formula: C26 H22 Cl N2 O3 P Ru
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3N2C(=O)c2[n]1cccc2)(Cl)([OH]C)C#[O]
• Title of publication: Ruthenium complexes of phosphine-amide based ligands as efficient catalysts for transfer hydrogenation reactions.
• Authors of publication: Yadav, Samanta; Vijayan, Paranthaman; Yadav, Sunil; Gupta, Rajeev
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 3269 - 3279
• a: 18.3088 ± 0.0008 Å
• b: 8.4872 ± 0.0004 Å
• c: 32.8245 ± 0.0016 Å
• α: 90°
• β: 101.52 ± 0.004°
• γ: 90°
• Cell volume: 4997.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No