Information card for entry 7063119

Structure parameters

• Formula: C50 H38 Cl F2 N3 O2 P2 Ru
• Calculated formula: C50 H38 Cl F2 N3 O2 P2 Ru
• SMILES: C(#[O])[Ru]1(Cl)(N(=C(N=[N]1c1ccccc1)c1c(cccc1F)F)=O)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.238 ± 0.0005 Å
• b: 18.671 ± 0.0007 Å
• c: 20.9395 ± 0.0008 Å
• α: 90°
• β: 99.984 ± 0.001°
• γ: 90°
• Cell volume: 4712.1 ± 0.3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 8
• 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: 0.0606
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No