Information card for entry 4081924

Structure parameters

• Formula: C9 H18 Br F5 Ni P2
• Calculated formula: C9 H18 Br 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: 9.3729 ± 0.0019 Å
• b: 10.857 ± 0.002 Å
• c: 16.181 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1646.6 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No