Information card for entry 4088368

Structure parameters

• Formula: C38 H53 Cl4 F3 N2 P Ru
• Calculated formula: C38 H53 Cl4 F3 N2 P Ru
• SMILES: [Ru](Cl)(Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(=Cc1ccccc1)=C1N(c2c(N1CCCC)cccc2)C(F)(F)F.ClCCl
• Title of publication: N-Trifluoromethyl NHC Ligands Provide Selective Ruthenium Metathesis Catalysts
• Authors of publication: Engl, Pascal S.; Fedorov, Alexey; Copéret, Christophe; Togni, Antonio
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 6
• Pages of publication: 887
• a: 14.4269 ± 0.0011 Å
• b: 16.0783 ± 0.0012 Å
• c: 19.3107 ± 0.0014 Å
• α: 105.232 ± 0.001°
• β: 108.433 ± 0.001°
• γ: 98.507 ± 0.001°
• Cell volume: 3967.5 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.043
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No