Information card for entry 7021246

Structure parameters

• Formula: C14 H27 Co F4 N P3
• Calculated formula: C14 H27 Co F4 N P3
• SMILES: [Co]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)c1c(F)c(F)nc(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: 8.581 ± 0.001 Å
• b: 16.696 ± 0.0013 Å
• c: 14.853 ± 0.002 Å
• α: 90°
• β: 99.75 ± 0.012°
• γ: 90°
• Cell volume: 2097.2 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No