Information card for entry 4085270

Structure parameters

• Formula: C34 H38 Cl2 F6 N2 O2 Ru
• Calculated formula: C34 H38 Cl2 F6 N2 O2 Ru
• SMILES: [Ru]1(Cl)(Cl)(=Cc2ccccc2[O]1C(C)C)=C1N(CCN1c1c(cc(cc1C)C(OC)(C(F)(F)F)C(F)(F)F)C)c1c(cc(cc1C)C)C
• Title of publication: Metathesis Catalysts with Fluorinated Unsymmetrical NHC Ligands
• Authors of publication: Masoud, Salekh M.; Mailyan, Artur K.; Dorcet, Vincent; Roisnel, Thierry; Dixneuf, Pierre H.; Bruneau, Christian; Osipov, Sergey N.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2305
• a: 8.0093 ± 0.0002 Å
• b: 44.3383 ± 0.0013 Å
• c: 9.9524 ± 0.0003 Å
• α: 90°
• β: 103.757 ± 0.001°
• γ: 90°
• Cell volume: 3432.9 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No