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Information card for entry 4503507
Preview
| Coordinates | 4503507.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H30 N4 O10 U |
|---|---|
| Calculated formula | C16 H30 N4 O10 U |
| SMILES | C1(CCCN1CC(C)C)=[O][U]12(=O)(=O)([O]=C3CCCN3CC(C)C)(ON(=[O]1)=O)ON(=[O]2)=O |
| Title of publication | Molecular and Crystal Structures of Uranyl Nitrate Complexes withN-Alkylated 2-Pyrrolidone Derivatives: Design and Optimization of Promising Precipitant for Uranyl Ion |
| Authors of publication | Takao, Koichiro; Noda, Kyoko; Morita, Yasuji; Nishimura, Kenji; Ikeda, Yasuhisa |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 7 |
| Pages of publication | 2364 |
| a | 7.405 ± 0.003 Å |
| b | 18.1 ± 0.005 Å |
| c | 8.623 ± 0.003 Å |
| α | 90° |
| β | 100.97 ± 0.03° |
| γ | 90° |
| Cell volume | 1134.6 ± 0.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0249 |
| Residual factor for significantly intense reflections | 0.0161 |
| Weighted residual factors for significantly intense reflections | 0.0327 |
| Weighted residual factors for all reflections included in the refinement | 0.0346 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4503507.cif |
| 179569 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/35. |
4503507.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4503507.cif |
| 41595 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503507 via cif-deposit CGI script. |
4503507.cif |
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Users of the data should acknowledge the original authors of the
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