Information card for entry 4081930

Structure parameters

• Formula: C17 H28 Br F3 Ni P2
• Calculated formula: C17 H28 Br F3 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: 8.903 ± 0.002 Å
• b: 9.578 ± 0.002 Å
• c: 13.003 ± 0.003 Å
• α: 83.961 ± 0.003°
• β: 83.339 ± 0.004°
• γ: 83.622 ± 0.004°
• Cell volume: 1089.7 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No