Information card for entry 4068565

Structure parameters

• Formula: C56 H50 Cl2 O5 P2 Ru
• Calculated formula: C56 H50 Cl2 O5 P2 Ru
• SMILES: C1(C)=[O][Ru](=C=CC(c2ccccc2)(c2ccccc2)O)(O1)(OC(=O)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.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: 12.1131 ± 0.0005 Å
• b: 16.5914 ± 0.0007 Å
• c: 23.9945 ± 0.001 Å
• α: 90°
• β: 93.055 ± 0.001°
• γ: 90°
• Cell volume: 4815.4 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0416
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No