Information card for entry 4101365

Structure parameters

• Formula: C25 H22 Cl2 F4 N2 O Ru
• Calculated formula: C25 H22 Cl2 F4 N2 O Ru
• SMILES: [Ru]1(Cl)(Cl)([O](c2c(C=1)cccc2)C(C)C)=C1N(CCN1c1c(F)cccc1F)c1c(F)cccc1F
• Title of publication: Rate acceleration in olefin metathesis through a fluorine-ruthenium interaction.
• Authors of publication: Ritter, Tobias; Day, Michael W; Grubbs, Robert H
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 36
• Pages of publication: 11768 - 11769
• a: 15.8715 ± 0.0004 Å
• b: 13.4827 ± 0.0004 Å
• c: 11.2212 ± 0.0003 Å
• α: 90°
• β: 90.146 ± 0.001°
• γ: 90°
• Cell volume: 2401.22 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0602
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No