Information card for entry 4068564

Structure parameters

• Formula: C50 H46 Cl4 O4 P2 Ru
• Calculated formula: C50 H46 Cl4 O4 P2 Ru
• SMILES: C1(C)=[O][Ru](=C=Cc2ccccc2)(O1)(OC(=O)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Exploitation of a Chemically Non-innocent Acetate Ligand in the Synthesis and Reactivity of Ruthenium Vinylidene Complexes
• Authors of publication: Lynam, Jason M.; Welby, Christine E.; Whitwood, Adrian C.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1320
• a: 11.4131 ± 0.0008 Å
• b: 14.0888 ± 0.001 Å
• c: 15.2752 ± 0.001 Å
• α: 73.913 ± 0.001°
• β: 89.829 ± 0.001°
• γ: 84.941 ± 0.002°
• Cell volume: 2350.2 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No