Information card for entry 4072809

Structure parameters

• Formula: C28 H30 Cl2 F2 N2 O Ru
• Calculated formula: C28 H30 Cl2 F2 N2 O Ru
• SMILES: [Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(F)cccc1F
• 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: 17.0577 ± 0.0005 Å
• b: 10.1643 ± 0.0003 Å
• c: 17.1021 ± 0.0005 Å
• α: 90°
• β: 113.531 ± 0.001°
• γ: 90°
• Cell volume: 2718.59 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0702
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No