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Information card for entry 8104971
Preview
| Coordinates | 8104971.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H23 Cl4 I2 N3 |
|---|---|
| Calculated formula | C21 H23 Cl4 I2 N3 |
| Title of publication | Crystal structure of 4,5-diiodo-1,3-dimesityl-1H-1,2,3-triazol-3-ium chloride – chloroform (1/1), C21H23Cl4I2N3 |
| Authors of publication | Xu, Xingyu; Qiu, Ping |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 1 |
| Pages of publication | 97 - 99 |
| a | 26.11 ± 0.002 Å |
| b | 9.1149 ± 0.0008 Å |
| c | 33.793 ± 0.003 Å |
| α | 90° |
| β | 134.138 ± 0.003° |
| γ | 90° |
| Cell volume | 5771.7 ± 0.9 Å3 |
| Cell temperature | 297.93 K |
| Ambient diffraction temperature | 297.93 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1099 |
| Residual factor for significantly intense reflections | 0.0624 |
| Weighted residual factors for significantly intense reflections | 0.1288 |
| Weighted residual factors for all reflections included in the refinement | 0.1525 |
| 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 | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274165 (current) | 2022-03-31 | cif/ Adding structures of 8104971 via cif-deposit CGI script. |
8104971.cif |
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Users of the data should acknowledge the original authors of the
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