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Information card for entry 1551685
Preview
| Coordinates | 1551685.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1-methyl-2,4,5-triiodoimidazole |
|---|---|
| Formula | C4 H3 I3 N2 |
| Calculated formula | C4 H3 I3 N2 |
| Title of publication | Crystal Structure of 1-Methyl-2,4,5-triiodoimidazole: Formation of a Triangular Trimer through Halogen Bonding |
| Authors of publication | MUKAI, Tomohiro; NISHIKAWA, Keiko |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2013 |
| Journal volume | 29 |
| Journal issue | 0 |
| Pages of publication | 13 |
| a | 16.762 ± 0.0017 Å |
| b | 14.8566 ± 0.0014 Å |
| c | 22.35 ± 0.002 Å |
| α | 90° |
| β | 101.238 ± 0.001° |
| γ | 90° |
| Cell volume | 5459 ± 0.9 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0417 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0897 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216296 (current) | 2019-06-20 | cif/ Adding structures of 1551685 via cif-deposit CGI script. |
1551685.cif |
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