Information card for entry 4070379

Structure parameters

• Chemical name: bis(tricyclohexylphosphino)dichloro[(benzylidene)]ruthenium(II) benzene sesquisolvate
• Formula: C52 H81 Cl2 P2 Ru
• Calculated formula: C52 H81 Cl2 P2 Ru
• Title of publication: Steric and Electronic Effects of Carbene Substitution in Grubbs First-Generation Catalysts
• Authors of publication: Lane, David R.; Beavers, Christine M.; Olmstead, Marilyn M.; Schore, Neil E.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 23
• Pages of publication: 6789
• a: 9.6923 ± 0.0003 Å
• b: 13.4885 ± 0.0005 Å
• c: 37.6549 ± 0.0013 Å
• α: 90°
• β: 92.559 ± 0.002°
• γ: 90°
• Cell volume: 4917.9 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0604
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No