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Information card for entry 8104981
Preview
| Coordinates | 8104981.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H9 I5 N2 O3 |
|---|---|
| Calculated formula | C6 H9 I5 N2 O3 |
| SMILES | C(=O)(c1cccc([nH+]1)N)O.I[I-]I.II.O |
| Title of publication | The crystal structure of 6-amino-5-carboxypyridin-1-ium pentaiodide monohydrate C6H9I5N2O3 |
| Authors of publication | Li, Dan-Xia; Wang, Hai-Jun; Yan, Zhen-Li; Du, Chao-Jun |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 1 |
| Pages of publication | 135 - 136 |
| a | 7.4851 ± 0.0005 Å |
| b | 9.6056 ± 0.0006 Å |
| c | 12.4084 ± 0.0007 Å |
| α | 109.119 ± 0.003° |
| β | 99.341 ± 0.003° |
| γ | 92.334 ± 0.003° |
| Cell volume | 827.53 ± 0.09 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0336 |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for significantly intense reflections | 0.0422 |
| Weighted residual factors for all reflections included in the refinement | 0.0449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274175 (current) | 2022-03-31 | cif/ Adding structures of 8104981 via cif-deposit CGI script. |
8104981.cif |
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Users of the data should acknowledge the original authors of the
structural data.