Information card for entry 4111188

Structure parameters

• Chemical name: Bis-{1,3-di(isopropyl)-imidazol-2-ylidene}(heptafluorotolyl)(fluoro)nickel(II)
• Formula: C27 H37 F8 N4 Ni O0.5
• Calculated formula: C27 H37 F8 N4 Ni O0.5
• Title of publication: Catalytic C-C Bond Formation Accomplished by Selective C-F Activation of Perfluorinated Arenes
• Authors of publication: Thomas Schaub; Marc Backes; Udo Radius
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 15964 - 15965
• a: 32.069 ± 0.004 Å
• b: 10.2951 ± 0.0009 Å
• c: 24.3702 ± 0.0018 Å
• α: 90°
• β: 129.23 ± 0.02°
• γ: 90°
• Cell volume: 6232 ± 2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1311
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No