Information card for entry 1504708

Structure parameters

• Formula: C35 H40 Cl2 N2 O Ru
• Calculated formula: C35 H40 Cl2 N2 O Ru
• SMILES: [Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1N(C(C(N1c1ccccc1)(C)C)(C)C)c1ccccc1.c1ccccc1
• Title of publication: Olefin metathesis catalyst: stabilization effect of backbone substitutions of N-heterocyclic carbene.
• Authors of publication: Chung, Cheol K.; Grubbs, Robert H.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 2693 - 2696
• a: 10.3243 ± 0.0004 Å
• b: 12.2628 ± 0.0005 Å
• c: 12.8923 ± 0.0005 Å
• α: 78.583 ± 0.001°
• β: 81.942 ± 0.001°
• γ: 88.404 ± 0.001°
• Cell volume: 1584.13 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No