Information card for entry 2021323

Structure parameters

• Chemical name: <i>cis</i>-Dicarbonyldichloridobis[2-(2-methoxyphenyl)-1,8-naphthyridine-κ<i>N</i>^8^]ruthenium(II)
• Formula: C32 H24 Cl2 N4 O4 Ru
• Calculated formula: C32 H24 Cl2 N4 O4 Ru
• SMILES: [Ru](C#[O])(C#[O])(Cl)(Cl)([n]1cccc2ccc(c3c(cccc3)OC)nc12)[n]1cccc2ccc(c3c(cccc3)OC)nc12
• Title of publication: Ruthenium(II)‒carbonyl complexes containing two <i>N</i>-monodentate 1,8-naphthyridine ligands: active catalysis in transfer hydrogenation reactions
• Authors of publication: Guajardo, Juana; Ibañez, Andrés; Guerchais, Veronique; Vega, Andrés; Moya, Sergio; Aguirre, Pedro
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 11
• a: 19.106 ± 0.003 Å
• b: 12.1967 ± 0.0016 Å
• c: 29.42 ± 0.004 Å
• α: 90°
• β: 94.918 ± 0.002°
• γ: 90°
• Cell volume: 6830.5 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes