Information card for entry 4310412

Structure parameters

• Formula: C19 H14 N2 O5 Ru
• Calculated formula: C19 H14 N2 O5 Ru
• SMILES: [Ru]12(C#[O])(C#[O])(OC(=O)c3c1cccc3)[n]1c(cccc1)c1[n]2cccc1.O
• 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: 8.001 ± 0.002 Å
• b: 9.208 ± 0.002 Å
• c: 12.673 ± 0.003 Å
• α: 91.27 ± 0.03°
• β: 107.5 ± 0.03°
• γ: 100.31 ± 0.03°
• Cell volume: 873.2 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No