Information card for entry 4101368

Structure parameters

• Formula: C42 H36.5 Cl2 F8 N4 O1.25 Ru
• Calculated formula: C42 H36.5 Cl2 F8 N4 O1.25 Ru
• 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: 27.2151 ± 0.0008 Å
• b: 27.2151 ± 0.0008 Å
• c: 10.5174 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7789.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No