Information card for entry 4067985

Structure parameters

• Chemical name: Bis-{1,3-di(isopropyl)-imidazolin-2-ylidene}(hydrido) (heptafluorotolnyl)nickel(II)
• Formula: C25 H35 F7 N4 Ni
• Calculated formula: C25 H35 F7 N4 Ni
• Title of publication: Decisive Steps of the Hydrodefluorination of Fluoroaromatics using [Ni(NHC)2]
• Authors of publication: Fischer, Peter; Götz, Kathrin; Eichhorn, Antonius; Radius, Udo
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 4
• Pages of publication: 1374
• a: 20.229 ± 0.003 Å
• b: 14.609 ± 0.002 Å
• c: 11.919 ± 0.002 Å
• α: 90°
• β: 119.72 ± 0.03°
• γ: 90°
• Cell volume: 3059 ± 1.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No