Information card for entry 7026600

Structure parameters

• Formula: C47 H64 Co F4 N3 P2
• Calculated formula: C47 H64 Co F4 N3 P2
• SMILES: [Co]1([P](C)(C)C)([P](C)(C)C)(F)([N](=Cc2c1cccc2F)c1ccc(cc1)C)C.Fc1c(C(Nc2ccc(cc2)C)Nc2ccc(cc2)C)c(F)ccc1.CCCCC
• Title of publication: Imine-assisted C-F bond activation using low-valent cobalt compounds supported by trimethylphosphine ligands and formation of novel organic fluorides.
• Authors of publication: Lian, Zhe; Xu, Xiaofeng; Sun, Hongjian; Chen, Yue; Zheng, Tingting; Li, Xiaoyan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 40
• Pages of publication: 9523 - 9529
• a: 12.7602 ± 0.0013 Å
• b: 22.376 ± 0.002 Å
• c: 17.1926 ± 0.0018 Å
• α: 90°
• β: 102.235 ± 0.007°
• γ: 90°
• Cell volume: 4797.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0798
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No