Information card for entry 4068381

Structure parameters

• Formula: C32 H25 Cl2 O3 P Ru S W
• Calculated formula: C32 H25 Cl2 O3 P Ru S W
• SMILES: [W]123456([Ru]([S]1c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([Cl]2)(Cl)C#[O])(C#[O])(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: Synthesis and Characterization of Single Thiolato-Bridged Heterodinuclear Complexes: Irreversible Isomerization of Cp(CO)2W(μ-SPh)(μ-Cl)Ru(CO)(Cl)(PPh3) to Cp(CO)(Cl)W(μ-SPh)(μ-Cl)Ru(CO)2(PPh3) via Chloride and Carbonyl Ligand Migration
• Authors of publication: Hossain, Md. Munkir; Lin, Hsiu-Mei; Wang, Chih-Min; Shyu, Shin-Guang
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 264
• a: 10.6341 ± 0.0018 Å
• b: 19.703 ± 0.004 Å
• c: 14.856 ± 0.003 Å
• α: 90°
• β: 103.46 ± 0.03°
• γ: 90°
• Cell volume: 3027.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No