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Information card for entry 4342312
Preview
| Coordinates | 4342312.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4342312.cif |
| 179526 | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/23. |
4342312.cif |
| 132838 | 2015-03-04 | cif/ Updating files of 4342312, 4342313 Original log message: Adding full bibliography for 4342312--4342313.cif. |
4342312.cif |
| 130516 | 2015-02-04 | cif/ Adding structures of 4342312 via cif-deposit CGI script. |
4342312.cif |
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Users of the data should acknowledge the original authors of the
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