Information card for entry 7021250

Structure parameters

• Formula: C15 H27 Cl Co F5 P3
• Calculated formula: C15 H27 Cl Co F5 P3
• SMILES: [Co]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)(Cl)c1c(F)c(F)c(F)c(F)c1F
• 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: 15.067 ± 0.004 Å
• b: 9.121 ± 0.002 Å
• c: 32.289 ± 0.008 Å
• α: 90°
• β: 94.067 ± 0.004°
• γ: 90°
• Cell volume: 4426.2 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No