Information card for entry 4075932

Structure parameters

• Formula: C36 H51 Cl2 O P Ru
• Calculated formula: C36 H51 Cl2 O P Ru
• SMILES: c12ccccc1C(/C=C/c1ccccc1)=[Ru]([O]2C(C)C)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(Cl)Cl
• Title of publication: Bidentate Ruthenium Vinylcarbene Catalysts Derived from Enyne Metathesis
• Authors of publication: Fürstner, Alois; Davies, Paul W.; Lehmann, Christian W.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 16
• Pages of publication: 4065
• a: 12.3362 ± 0.0005 Å
• b: 14.3118 ± 0.0006 Å
• c: 19.2817 ± 0.0008 Å
• α: 90°
• β: 98.826 ± 0.002°
• γ: 90°
• Cell volume: 3363.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No