Information card for entry 4310907

Structure parameters

• Formula: C27 H24 Cl F6 N4 O P Ru
• Calculated formula: C27 H24 Cl F6 N4 O P Ru
• SMILES: [Ru]12(Cl)(C#[O])([n]3c(cc(C)cc3)c3[n]1ccc(c3)C)[n]1c3c(ccc1)c(C)c(c1c3[n]2ccc1)C.[P](F)(F)(F)(F)(F)[F-]
• 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: 18.799 ± 0.007 Å
• b: 8.545 ± 0.003 Å
• c: 19.402 ± 0.008 Å
• α: 90°
• β: 115.51 ± 0.03°
• γ: 90°
• Cell volume: 2813 ± 2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections: 1.417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No