Information card for entry 4310910

Structure parameters

• Formula: C21 H17 Cl2 N5 O5 Ru
• Calculated formula: C21 H17 Cl2 N5 O5 Ru
• SMILES: [Ru]12(Cl)(C#[O])([n]3c(cccc3)c3[n]1cccc3)[n]1c(cccc1)Nc1[n]2cccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis of Heteroleptic Bis(diimine)carbonylchlororuthenium(II) Complexes from Photodecarbonylated Precursors
• Authors of publication: Christopher M. Kepert; Glen B. Deacon; Norma Sahely; Leone Spiccia; Gary D. Fallon; Brian W. Skelton; Allan H. White
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2818 - 2827
• a: 17.082 ± 0.005 Å
• b: 13.275 ± 0.002 Å
• c: 10.479 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2376.3 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections: 1.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No