Information card for entry 4342312

Structure parameters

• Formula: C54 H54 F12 N8 O14 S4 U
• Calculated formula: C54 H54 F12 N8 O14 S4 U
• SMILES: FC(F)(F)S(=O)(=O)N=S([O-])(=O)C(F)(F)F.[U]12(=O)(=O)([O]=C(c3cccc(C(N(c4ccc(cc4)C)CC)=[O]1)n3)N(c1ccc(cc1)C)CC)[O]=C(c1cccc(C(N(c3ccc(cc3)C)CC)=[O]2)n1)N(c1ccc(cc1)C)CC.FC(F)(F)S(=O)(=O)N=S([O-])(=O)C(F)(F)F
• Title of publication: New Insight of Coordination and Extraction of Uranium(VI) with N-Donating Ligands in Room Temperature Ionic Liquids: N,N'-Diethyl-N,N'-ditolyldipicolinamide as a Case Study.
• Authors of publication: Yuan, Li-Yong; Sun, Man; Mei, Lei; Wang, Lin; Zheng, Li-Rong; Gao, Zeng-Qiang; Zhang, Jing; Zhao, Yu-Liang; Chai, Zhi-Fang; Shi, Wei-Qun
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1992 - 1999
• a: 13.108 ± 0.003 Å
• b: 14.162 ± 0.003 Å
• c: 18.805 ± 0.007 Å
• α: 90°
• β: 112.71 ± 0.02°
• γ: 90°
• Cell volume: 3220.2 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No