Information card for entry 4076740

Structure parameters

• Chemical name: [Et4N][Ru(Sxylyl)4Cl] ?
• Formula: C41 H58 Cl3 N Ru S4
• Calculated formula: C41 H58 Cl3 N Ru S4
• SMILES: c1(c(cccc1C)C)S[Ru](Cl)(Sc1c(cccc1C)C)(Sc1c(cccc1C)C)Sc1c(cccc1C)C.C(C)[N+](CC)(CC)CC.C(Cl)Cl
• Title of publication: σ-Acetylide Complexes of Ruthenium(IV) and Osmium(IV) Thiolates
• Authors of publication: Zhang, Qian-Feng; Lai, Chui-Ying; Wong, Wai-Yeung; Leung, Wa-Hung
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 19
• Pages of publication: 4017
• a: 13.4154 ± 0.0008 Å
• b: 15.7625 ± 0.0009 Å
• c: 21.1569 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4473.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0817
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.762
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No