Information card for entry 4107434

Structure parameters

• Formula: C21 H23 Cl2 N O Ru S
• Calculated formula: C21 H23 Cl2 N O Ru S
• SMILES: [Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1SC(=C(N1c1ccccc1)C)C
• Title of publication: Synthesis and Activity of Ruthenium Olefin Metathesis Catalysts Coordinated with Thiazol-2-ylidene Ligands
• Authors of publication: Georgios C. Vougioukalakis; Robert H. Grubbs
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2234 - 2245
• a: 8.6637 ± 0.0003 Å
• b: 23.158 ± 0.0007 Å
• c: 10.7183 ± 0.0003 Å
• α: 90°
• β: 99.631 ± 0.001°
• γ: 90°
• Cell volume: 2120.15 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0685
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No