Information card for entry 4088369

Structure parameters

• Formula: C40 H50 Cl4 F3 N2 P Ru
• Calculated formula: C40 H50 Cl4 F3 N2 P Ru
• 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: 9.6135 ± 0.0017 Å
• b: 9.9787 ± 0.0017 Å
• c: 43.076 ± 0.007 Å
• α: 90°
• β: 90.906 ± 0.002°
• γ: 90°
• Cell volume: 4131.8 ± 1.2 ų
• Cell temperature: 101.7 K
• Ambient diffraction temperature: 101.8 K
• Number of distinct elements: 7
• 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: 0.1109
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No