Information card for entry 7021244

Structure parameters

• Formula: C22 H36 Co F7 P4
• Calculated formula: C22 H36 Co F7 P4
• SMILES: [Co]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)c1c(F)c2c(F)c(F)c(F)c(F)c2c(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: 16.1878 ± 0.0019 Å
• b: 18.288 ± 0.002 Å
• c: 18.646 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5520 ± 1.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No