Information card for entry 4515734

Structure parameters

• Formula: C26 H32 Cl2 F3 N Ru S
• Calculated formula: C26 H32 Cl2 F3 N Ru S
• SMILES: [Ru]1([S](c2c(C=1)cccc2)C(F)(F)F)(Cl)(Cl)=C1N(c2c(CC)cccc2CC)C(CC1(C)C)(C)C
• Title of publication: Synthesis and Catalytic Properties of Sulfur-Chelated Ruthenium Benzylidenes Bearing a Cyclic (Alkyl)(amino)carbene Ligand
• Authors of publication: Rozenberg, Illya; Eivgi, Or; Frenklah, Alexander; Butilkov, Danielle; Kozuch, Sebastian; Goldberg, Israel; Lemcoff, N. Gabriel
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 8182
• a: 11.0669 ± 0.0003 Å
• b: 14.1689 ± 0.0004 Å
• c: 17.6536 ± 0.0005 Å
• α: 103.228 ± 0.001°
• β: 94.276 ± 0.001°
• γ: 100.447 ± 0.001°
• Cell volume: 2630.52 ± 0.13 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No