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Information card for entry 4126780
Preview
| Coordinates | 4126780.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | potassium thorium pentanitrate hydrate |
|---|---|
| Formula | H15 K N5 O22.5 Th |
| Calculated formula | H14 K N5 O22.5 Th |
| Title of publication | Influence of Counter-Cation Hydration Enthalpies on the Formation of Molecular Complexes: A Thorium-Nitrate Example. |
| Authors of publication | Jin, Geng Bang; Lin, Jian; Estes, Shanna L.; Skanthakumar, Suntharalingam; Soderholm, Lynda |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 10.3286 ± 0.0004 Å |
| b | 13.2067 ± 0.0005 Å |
| c | 13.9824 ± 0.0006 Å |
| α | 95.3184 ± 0.0006° |
| β | 90.4903 ± 0.0006° |
| γ | 92.7271 ± 0.0005° |
| Cell volume | 1896.77 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0278 |
| Residual factor for significantly intense reflections | 0.0212 |
| Weighted residual factors for significantly intense reflections | 0.0424 |
| Weighted residual factors for all reflections included in the refinement | 0.0453 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203794 (current) | 2017-11-30 | cif/ Adding structures of 4126780, 4126781, 4126782, 4126783 via cif-deposit CGI script. |
4126780.cif |
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Users of the data should acknowledge the original authors of the
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