Information card for entry 4069191

Structure parameters

• Formula: C60 H81 Cl2 N2 P Ru
• Calculated formula: C60 H81 Cl2 N2 P Ru
• SMILES: [Ru](Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(Cl)(=C1N(c2c(cccc2C(C)C)C(C)C)CCN1c1c(cccc1C(C)C)C(C)C)=C1c2ccccc2C(=C1)c1ccccc1
• Title of publication: Indenylidene Ruthenium Complex Bearing a Sterically Demanding NHC Ligand: An Efficient Catalyst for Olefin Metathesis at Room Temperature
• Authors of publication: Clavier, Hervé; Urbina-Blanco, César A.; Nolan, Steven P.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 2848
• a: 26.7399 ± 0.0009 Å
• b: 23.5236 ± 0.0007 Å
• c: 20.4693 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12875.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No