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Information card for entry 2242256
Preview
| Coordinates | 2242256.cif |
|---|---|
| Structure factors | 2242256.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | sodium pertechnetate |
|---|---|
| Chemical name | Sodium pertechnetate |
| Formula | Na O4 Tc |
| Calculated formula | Na O4 Tc |
| SMILES | [Tc](=O)(=O)(=O)[O-].[Na+] |
| Title of publication | Redetermination of the crystal structure of NaTcO~4~ at 100 and 296K based on single-crystal X-ray data |
| Authors of publication | German, Konstantin E.; Grigoriev, Mikhail S.; Garashchenko, Bogdan L.; Kopytin, Alexander V.; Tyupina, Ekaterina A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 7 |
| Pages of publication | 1037 - 1040 |
| a | 5.2945 ± 0.0002 Å |
| b | 5.2945 ± 0.0002 Å |
| c | 11.747 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 329.29 ± 0.02 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0098 |
| Residual factor for significantly intense reflections | 0.0092 |
| Weighted residual factors for significantly intense reflections | 0.0166 |
| Weighted residual factors for all reflections included in the refinement | 0.0168 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.31 |
| 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. |
2242256.cif 2242256.hkl |
| 199215 | 2017-07-25 | cif/ hkl/ Adding structures of 2242256, 2242257 via cif-deposit CGI script. |
2242256.cif 2242256.hkl |
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Users of the data should acknowledge the original authors of the
structural data.