Information card for entry 7706535

Structure parameters

• Formula: C30 H20 Cl N2 O3 P Ru
• Calculated formula: C30 H20 Cl N2 O3 P Ru
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3N1C(=O)c1c3ccccc3cc[n]21)c1ccccc1)(Cl)(C#[O])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: 8.6093 ± 0.0012 Å
• b: 19.52 ± 0.002 Å
• c: 16.0093 ± 0.0018 Å
• α: 90°
• β: 101.983 ± 0.012°
• γ: 90°
• Cell volume: 2631.8 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.184
• Residual factor for significantly intense reflections: 0.1008
• Weighted residual factors for significantly intense reflections: 0.2211
• Weighted residual factors for all reflections included in the refinement: 0.3019
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No