Information card for entry 4072808

Structure parameters

• Formula: C43 H57 Cl2 F2 N2 P Ru
• Calculated formula: C43 H57 Cl2 F2 N2 P Ru
• SMILES: [Ru]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(Cl)(Cl)(=C1N(CCN1c1c(cc(cc1C)C)C)c1c(F)cccc1F)=Cc1ccccc1
• Title of publication: Ruthenium Olefin Metathesis Catalysts Bearing anN-Fluorophenyl-N-Mesityl-Substituted UnsymmetricalN-Heterocyclic Carbene
• Authors of publication: Vougioukalakis, Georgios C.; Grubbs, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 9
• Pages of publication: 2469
• a: 25.2082 ± 0.0012 Å
• b: 9.8032 ± 0.0005 Å
• c: 16.0304 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3961.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.823
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No