Information card for entry 1512667

Structure parameters

• Formula: C51 H60 Cl5 N O2 P4 Ru2 S2
• Calculated formula: C51 H60 Cl5 N O2 P4 Ru2 S2
• SMILES: [Ru]12([S]3[Ru]([S]1=P(N=P3(C(C)C)C(C)C)(C(C)C)C(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)([Cl]2)C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)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: 10.757 ± 0.006 Å
• b: 14.895 ± 0.008 Å
• c: 18.091 ± 0.01 Å
• α: 90.705 ± 0.006°
• β: 100.433 ± 0.006°
• γ: 92.931 ± 0.005°
• Cell volume: 2846 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No