Information card for entry 4342313

Structure parameters

• Formula: C50 H54 F12 N6 O6 P2 U
• Calculated formula: C50 H54 F12 N6 O6 P2 U
• SMILES: [U]1234([n]5c(C(N(c6ccc(cc6)C)CC)=[O]2)cccc5C(N(c2ccc(C)cc2)CC)=[O]1)([n]1c(cccc1C(N(c1ccc(C)cc1)CC)=[O]3)C(N(c1ccc(cc1)C)CC)=[O]4)(=O)=O.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(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: 13.199 ± 0.003 Å
• b: 15.96 ± 0.003 Å
• c: 26.991 ± 0.005 Å
• α: 90°
• β: 101.64 ± 0.03°
• γ: 90°
• Cell volume: 5569 ± 2 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: 0.0441
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No