Information card for entry 4310411

Structure parameters

• Formula: C18 H18 N2 O6 Ru
• Calculated formula: C18 H18 N2 O6 Ru
• SMILES: [Ru]1(C#[O])(C#[O])(OC(=O)C)(OC(=O)C)[n]2c(ccc(C)c2)c2[n]1cc(cc2)C
• Title of publication: Carbonyl-Carboxylato-Ruthenium Complexes Incorporating Diimine Ligands and Unexpected Cyclometalation of Carboxylate Ligands
• Authors of publication: Pauline Pearson; Christopher M. Kepert; Glen B. Deacon; Leone Spiccia; Andrew C. Warden; Brian W. Skelton; Allan H. White
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 683 - 691
• a: 9.2447 ± 0.0008 Å
• b: 12.256 ± 0.001 Å
• c: 16.403 ± 0.001 Å
• α: 99.362 ± 0.001°
• β: 98.224 ± 0.001°
• γ: 90.164 ± 0.001°
• Cell volume: 1814.2 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections: 1.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No