Information card for entry 4108068

Structure parameters

• Chemical name: (iPr2Im)2(F)(C6F4-4-SiMe)Ni(II)
• Formula: C28.5 H44.5 F5 N4 Ni Si
• Calculated formula: C28.5 H44.5 F5 N4 Ni Si
• Title of publication: C-F Activation of Fluorinated Arenes using NHC-Stabilized Nickel(0) Complexes: Selectivity and Mechanistic Investigations
• Authors of publication: Thomas Schaub; Peter Fischer; Andreas Steffen; Thomas Braun; Udo Radius; Andreas Mix
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 9304 - 9317
• a: 35.173 ± 0.004 Å
• b: 10.2706 ± 0.0013 Å
• c: 24.407 ± 0.003 Å
• α: 90°
• β: 128.352 ± 0.014°
• γ: 90°
• Cell volume: 6914 ± 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: 0.1143
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No