Information card for entry 7063118

Structure parameters

• Formula: C50 H40 Cl N3 O3 P2 Ru
• Calculated formula: C50 H40 Cl N3 O3 P2 Ru
• SMILES: [Ru]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(N(=O)=C(N=[N]1c1ccccc1)c1ccccc1O)C#[O]
• Title of publication: Ruthenium complexes of redox non-innocent aryl-azo-oximes for catalytic α-alkylation of ketones and synthesis of 2-substituted quinolines
• Authors of publication: Halder, Supriyo; Naskar, Srijita; Jana, Debashis; Kanrar, Gopal; Pramanik, Kausikisankar; Ganguly, Sanjib
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 18
• Pages of publication: 8181 - 8194
• a: 20.1633 ± 0.0017 Å
• b: 12.2066 ± 0.001 Å
• c: 18.6526 ± 0.0016 Å
• α: 90°
• β: 109.084 ± 0.003°
• γ: 90°
• Cell volume: 4338.6 ± 0.6 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No