Information card for entry 4084560

Structure parameters

• Formula: C40 H46 Cl2 N2 O Ru
• Calculated formula: C40 H46 Cl2 N2 O Ru
• SMILES: [Ru]1(Cl)(Cl)(=C2N([C@H]([C@H](N2C2CCCCC2)c2ccccc2)c2ccccc2)c2ccccc2C(C)C)=Cc2ccccc2[O]1C(C)C.[Ru]1(Cl)(Cl)(=C2N([C@@H]([C@@H](N2C2CCCCC2)c2ccccc2)c2ccccc2)c2ccccc2C(C)C)=Cc2ccccc2[O]1C(C)C
• Title of publication: Novel Olefin Metathesis Ruthenium Catalysts Bearing Backbone-Substituted Unsymmetrical NHC Ligands
• Authors of publication: Paradiso, Veronica; Bertolasi, Valerio; Grisi, Fabia
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 5932
• a: 24.6791 ± 0.0002 Å
• b: 14.5115 ± 0.0002 Å
• c: 23.5392 ± 0.0003 Å
• α: 90°
• β: 117.917 ± 0.0005°
• γ: 90°
• Cell volume: 7449.09 ± 0.16 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No