Information card for entry 1512665

Structure parameters

• Formula: C57 H47 Cl6 O2 P3 Ru2
• Calculated formula: C57 H47 Cl6 O2 P3 Ru2
• SMILES: [Ru]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([Cl][Ru]([P](c3ccccc3)(c3ccccc3)c3ccccc3)([Cl]1)([Cl]2)(Cl)C#[O])C#[O].ClCCl
• Title of publication: Mutual transformation between mono- and binuclear ruthenium complexes and their reactions with iminobis(diisopropylphosphinesulfide) ligand
• Authors of publication: Ai-Quan Jia; Qing Ma; Hua-Tian Shi; Qun Chen; Wa-Hung Leung; Qian-Feng Zhang
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 99 - 102
• a: 13.128 ± 0.006 Å
• b: 13.514 ± 0.006 Å
• c: 31.156 ± 0.015 Å
• α: 90°
• β: 94.111 ± 0.006°
• γ: 90°
• Cell volume: 5513 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0544
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No