Information card for entry 4067456

Structure parameters

• Formula: C51 H64 Cl2 N2 O Ru
• Calculated formula: C45 H50 Cl2 N2 O Ru
• SMILES: [Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1N(CCN1c1c2ccccc2ccc1C1CCCCC1)c1c2ccccc2ccc1C1CCCCC1
• Title of publication: Ruthenium Olefin Metathesis Catalysts with N-Heterocyclic Carbene Ligands BearingN-Naphthyl Side Chains
• Authors of publication: Vieille-Petit, Ludovic; Clavier, Hervé; Linden, Anthony; Blumentritt, Sascha; Nolan, Steven P.; Dorta, Reto
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 775
• a: 17.7519 ± 0.0001 Å
• b: 11.1589 ± 0.0001 Å
• c: 24.0414 ± 0.0002 Å
• α: 90°
• β: 109.107 ± 0.0005°
• γ: 90°
• Cell volume: 4500.03 ± 0.06 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No