Information card for entry 4074411

Structure parameters

• Formula: C34 H43 Cl2 N3 Ru
• Calculated formula: C34 H43 Cl2 N3 Ru
• SMILES: [Ru]1(Cl)(Cl)([N](CC(CC=1)(C)C)=Cc1ccccc1)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Latent Olefin Metathesis Catalysts Featuring Chelating Alkylidenes
• Authors of publication: Hejl, Andrew; Day, Michael W.; Grubbs, Robert H.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 26
• Pages of publication: 6149
• a: 13.7555 ± 0.0007 Å
• b: 11.4276 ± 0.0006 Å
• c: 20.4538 ± 0.0011 Å
• α: 90°
• β: 98.648 ± 0.001°
• γ: 90°
• Cell volume: 3178.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0831
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 2.222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No