Information card for entry 7021248

Structure parameters

• Formula: C14 H18 Co F5 O2 P2
• Calculated formula: C14 H18 Co F5 O2 P2
• Title of publication: Selective C-F/C-H bond activation of fluoroarenes by cobalt complex supported with phosphine ligands.
• Authors of publication: Li, Junye; Zheng, Tingting; Sun, Hongjian; Xu, Wengang; Li, Xiaoyan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5740 - 5748
• a: 12.4005 ± 0.0011 Å
• b: 12.1015 ± 0.001 Å
• c: 13.0277 ± 0.0011 Å
• α: 90°
• β: 91.942 ± 0.002°
• γ: 90°
• Cell volume: 1953.9 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No