Information card for entry 4081929

Structure parameters

• Formula: C17 H23 F5 Ni P2
• Calculated formula: C17 H23 F5 Ni P2
• Title of publication: Acid-Promoted Selective Carbon‒Fluorine Bond Activation and Functionalization of Hexafluoropropene by Nickel Complexes Supported with Phosphine Ligands
• Authors of publication: Xu, Wengang; Sun, Hongjian; Xiong, Zichang; Li, Xiaoyan
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 23
• Pages of publication: 7122
• a: 13.489 ± 0.003 Å
• b: 14.09 ± 0.003 Å
• c: 12.095 ± 0.002 Å
• α: 90°
• β: 114.75 ± 0.03°
• γ: 90°
• Cell volume: 2087.6 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No