Information card for entry 2021322

Structure parameters

• Chemical name: <i>cis</i>-Dicarbonyldichloridobis[2-(4-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(c3ccc(cc3)OC)nc12)[n]1cccc2ccc(c3ccc(cc3)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: 10.8018 ± 0.0015 Å
• b: 11.6708 ± 0.0016 Å
• c: 14.248 ± 0.002 Å
• α: 93.707 ± 0.002°
• β: 105.555 ± 0.002°
• γ: 116.417 ± 0.002°
• Cell volume: 1514.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes