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Information card for entry 8104692
Preview
| Coordinates | 8104692.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H10 I N3 O3 |
|---|---|
| Calculated formula | C6 H10 I N3 O3 |
| Title of publication | The crystal structure of 2-amino-5-nitroanilinium iodide monohydrate, C6H8IN3O2 |
| Authors of publication | Du, Chao-Jun; Niu, De-Long; Zheng, Shi-Li; Zeng, Yan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 4 |
| Pages of publication | 725 - 726 |
| a | 7.0704 ± 0.0003 Å |
| b | 15.7781 ± 0.0006 Å |
| c | 9.1495 ± 0.0004 Å |
| α | 90° |
| β | 112.114 ± 0.001° |
| γ | 90° |
| Cell volume | 945.61 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.01 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0211 |
| Residual factor for significantly intense reflections | 0.0187 |
| Weighted residual factors for significantly intense reflections | 0.0509 |
| Weighted residual factors for all reflections included in the refinement | 0.0522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.182 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273553 (current) | 2022-03-09 | cif/ Adding structures of 8104692 via cif-deposit CGI script. |
8104692.cif |
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Users of the data should acknowledge the original authors of the
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