Information card for entry 4101364

Structure parameters

• Formula: C40 H49 Cl2 F4 N2 P Ru
• Calculated formula: C40 H49 Cl2 F4 N2 P Ru
• SMILES: [Ru](Cl)(Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(=C1N(CCN1c1c(F)cccc1F)c1c(F)cccc1F)=Cc1ccccc1
• 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: 9.7554 ± 0.0013 Å
• b: 10.0375 ± 0.0014 Å
• c: 19.968 ± 0.003 Å
• α: 87.666 ± 0.002°
• β: 77.183 ± 0.002°
• γ: 85.699 ± 0.002°
• Cell volume: 1900.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No