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Information card for entry 2241918
Preview
| Coordinates | 2241918.cif |
|---|---|
| Structure factors | 2241918.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | Pentaamine dioxido uranium(V) nitrate ammoniate |
|---|---|
| Chemical name | Pentaammine dioxide uranium(V) nitrate ammonia monosolvate |
| Formula | H18 N7 O5 U |
| Calculated formula | H18 N7 O5 U |
| SMILES | [U](=O)(=O)([NH3])([NH3])([NH3])([NH3])[NH3].N.N(=O)(=O)[O-] |
| Title of publication | Crystal structure of [UO~2~(NH~3~)~5~]NO~3~·NH~3~ |
| Authors of publication | Woidy, Patrick; Kraus, Florian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 12 |
| Pages of publication | 1710 - 1713 |
| a | 15.7497 ± 0.0002 Å |
| b | 7.7375 ± 0.0001 Å |
| c | 18.8126 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2292.57 ± 0.05 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0531 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0845 |
| Weighted residual factors for all reflections included in the refinement | 0.0895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241918.cif 2241918.hkl |
| 187746 | 2016-11-02 | cif/ hkl/ Adding structures of 2241918 via cif-deposit CGI script. |
2241918.cif 2241918.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.