Information card for entry 4101367

Structure parameters

• Formula: C45 H58 Cl6 F4 N3 O3 P Ru
• Calculated formula: C45 H58 Cl6 F4 N3 O3 P Ru
• SMILES: [Ru](Cl)(Cl)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(=C1N(CCN1c1c(F)cccc1F)c1c(F)cccc1F)=Cc1cc(N(=O)=O)ccc1OC(C)C.C(Cl)Cl.C(Cl)Cl
• 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: 14.8554 ± 0.0006 Å
• b: 17.3381 ± 0.0007 Å
• c: 19.4448 ± 0.0008 Å
• α: 102.681 ± 0.001°
• β: 97.261 ± 0.001°
• γ: 93.09 ± 0.001°
• Cell volume: 4829.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.562
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No