Information card for entry 4075935

Structure parameters

• Formula: C44 H55 Cl2 O P Ru
• Calculated formula: C44 H55 Cl2 O P Ru
• SMILES: [Ru]1(Cl)(Cl)([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)[O](c2ccccc2C=1C=C1C=C(c2ccccc12)c1ccccc1)C(C)C
• 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: 15.66 ± 0.0001 Å
• b: 16.2793 ± 0.0001 Å
• c: 16.8111 ± 0.0001 Å
• α: 90°
• β: 114.2°
• γ: 90°
• Cell volume: 3909.09 ± 0.04 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: 0.0284
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No