Information card for entry 4116679

Structure parameters

• Chemical name: Bis(acetylacetonato)(2-vinyl-N,N-dimethylaniline)ruthenium(II)
• Formula: C20 H50 N O4 Ru
• Calculated formula: C20 H27 N O4 Ru
• SMILES: [Ru]1234(OC(=CC(=[O]1)C)C)(OC(=CC(=[O]2)C)C)[N](C)(C)c1ccccc1[CH]3=[CH2]4
• Title of publication: Alkene Complexes of Divalent and Trivalent Ruthenium Stabilized by Chelation. Dependence of Coordinated Alkene Orientation on Metal Oxidation State
• Authors of publication: Martin A. Bennett; Graham A. Heath; David C. R. Hockless; Ivan Kovacik; Anthony C. Willis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1998
• Journal volume: 120
• Pages of publication: 932 - 941
• a: 11.892 ± 0.003 Å
• b: 11.735 ± 0.003 Å
• c: 14.649 ± 0.004 Å
• α: 90°
• β: 101.23 ± 0.03°
• γ: 90°
• Cell volume: 2005.2 ± 0.9 ų
• Cell temperature: 273.2 K
• Ambient diffraction temperature: 273.2 K
• Number of distinct elements: 5
• 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: 0.0411
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for all reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.021
• Goodness-of-fit parameter for all reflections: 2.895
• Goodness-of-fit parameter for significantly intense reflections: 3.175
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No