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Information card for entry 8105886
Preview
| Coordinates | 8105886.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-iodoanilinium triiodide |
|---|---|
| Chemical name | 2-iodobenzenaminium triiodide |
| Formula | C6 H7 I4 N |
| Calculated formula | C6 H7 I4 N |
| Title of publication | Halogen and hydrogen bonding in the layered crystal structure of 2-iodoanilinium triiodide, C6H7I4N |
| Authors of publication | Reiss, Guido J. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 5 |
| Pages of publication | 899 - 902 |
| a | 9.2818 ± 0.0002 Å |
| b | 6.55289 ± 0.00016 Å |
| c | 11.0561 ± 0.0003 Å |
| α | 90° |
| β | 114.051 ± 0.003° |
| γ | 90° |
| Cell volume | 614.08 ± 0.03 Å3 |
| Cell temperature | 109 K |
| Ambient diffraction temperature | 109 K |
| Number of distinct elements | 4 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0234 |
| Residual factor for significantly intense reflections | 0.018 |
| Weighted residual factors for significantly intense reflections | 0.0351 |
| Weighted residual factors for all reflections included in the refinement | 0.0367 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278217 (current) | 2022-09-27 | cif/ Adding structures of 8105886 via cif-deposit CGI script. |
8105886.cif |
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Users of the data should acknowledge the original authors of the
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