Information card for entry 4119843

Structure parameters

• Formula: C6 H6 F6 N2 Ni
• Calculated formula: C6 H6 F6 N2 Ni
• SMILES: [Ni]([N]#CC)([N]#CC)(C(F)(F)F)C(F)(F)F
• Title of publication: A Five-Coordinate Nickel(II) Fluoroalkyl Complex as a Precursor to a Spectroscopically Detectable Ni(III) Species
• Authors of publication: Cheng-Pan Zhang; Huan Wang; Axel Klein; Christian Biewer; Kathrin Stirnat; Yoshitaka Yamaguchi; Long Xu; Valente Gomez-Benitez; David A. Vicic
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 8141 - 8144
• a: 8.2 ± 0.016 Å
• b: 17.1 ± 0.03 Å
• c: 21.72 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3046 ± 10 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.4213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No