Information card for entry 4066138

Structure parameters

• Formula: C44 H50 Cl4 N4 Ru
• Calculated formula: C44 H50 Cl4 N4 Ru
• SMILES: [Ru](Cl)(Cl)(=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(=C1C=C(c2ccccc12)c1ccccc1)=C1N(C(=C(N1C)C)C)C.C(Cl)Cl
• Title of publication: Ruthenium Complexes Bearing Two N-Heterocyclic Carbene Ligands in Low Catalyst Loading Olefin Metathesis Reactions
• Authors of publication: Bantreil, Xavier; Randall, Rebecca A. M.; Slawin, Alexandra M. Z.; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 13
• Pages of publication: 3007
• a: 8.579 ± 0.003 Å
• b: 14.41 ± 0.005 Å
• c: 17.937 ± 0.005 Å
• α: 87.16 ± 0.02°
• β: 76.891 ± 0.019°
• γ: 84.041 ± 0.016°
• Cell volume: 2147.2 ± 1.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1002
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.2388
• Weighted residual factors for all reflections included in the refinement: 0.258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No