Information card for entry 4135305

Structure parameters

• Chemical name: 1,2-di(triemthylsilyl)-3,4-di(3,3-dimethyl- prop-2-en-1-yl-carboxylato)-cyclobutadienyl- pentamethylcyclopentadienyl-chloro-ruthenium(II)
• Formula: C32 H51 Cl O4 Ru Si2
• Calculated formula: C32 H51 Cl O4 Ru Si2
• Title of publication: Hydrogenative Metathesis of Enynes via Piano-Stool Ruthenium Carbene Complexes Formed by Alkyne <i>gem</i>-Hydrogenation.
• Authors of publication: Peil, Sebastian; Bistoni, Giovanni; Goddard, Richard; Fürstner, Alois
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 43
• Pages of publication: 18541 - 18553
• a: 10.5379 ± 0.0006 Å
• b: 15.712 ± 0.001 Å
• c: 20.9915 ± 0.0014 Å
• α: 89.81 ± 0.003°
• β: 89.849 ± 0.003°
• γ: 84.937 ± 0.003°
• Cell volume: 3462 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0792
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No