Information card for entry 4135303

Structure parameters

• Chemical name: (hapto-3-(1-(methoxycyclohexyl)-hex-5-ene-2-ylidenyl))- (hapto-5-pentamethylcyclopentadienyl)-chloro-ruthenium(ii)
• Formula: C25 H41 Cl O Ru
• Calculated formula: C25 H41 Cl O Ru
• 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: 19.802 ± 0.003 Å
• b: 16.26 ± 0.002 Å
• c: 23.261 ± 0.002 Å
• α: 90°
• β: 107.91 ± 0.008°
• γ: 90°
• Cell volume: 7126.6 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.1991
• Weighted residual factors for all reflections included in the refinement: 0.2286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No