Information card for entry 4310414

Structure parameters

• Formula: C30.3333 H28.3333 F6 N4 O6.3333 P Ru2
• Calculated formula: C30.332 H27 F6 N4 O6.332 P Ru2
• 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: 28.776 ± 0.0003 Å
• b: 28.776 ± 0.0003 Å
• c: 21.113 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15140.5 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No