Information card for entry 7706533

Structure parameters

• Formula: C30 H20 Cl N2 O3 P Ru
• Calculated formula: C30 H20 Cl N2 O3 P Ru
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3N2C(=O)c2[n]1c1c(cccc1)cc2)(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: 9.9715 ± 0.0004 Å
• b: 11.0618 ± 0.0004 Å
• c: 12.8149 ± 0.0004 Å
• α: 92.082 ± 0.003°
• β: 98.606 ± 0.003°
• γ: 108.609 ± 0.003°
• Cell volume: 1319.19 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0553
• 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