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Information card for entry 2238366
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| Coordinates | 2238366.cif |
|---|---|
| Structure factors | 2238366.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Hydroxymethyl-1,3-dimethyl-1<i>H</i>-imidazol-3-ium triiodide |
|---|---|
| Formula | C6 H11 I3 N2 O |
| Calculated formula | C6 H11 I3 N2 O |
| SMILES | [I-](I)I.n1(c([n+](C)cc1)CO)C |
| Title of publication | 2-Hydroxymethyl-1,3-dimethyl-1<i>H</i>-imidazol-3-ium triiodide |
| Authors of publication | Said, Mohamed El Hadi; Bouraiou, Abdelmalek; Bouacida, Sofiane; Merazig, Hocine; Belfaitah, Ali; Chibani, Aissa |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1340 - o1341 |
| a | 7.1647 ± 0.0008 Å |
| b | 15.5586 ± 0.0019 Å |
| c | 11.3201 ± 0.0013 Å |
| α | 90° |
| β | 96.026 ± 0.007° |
| γ | 90° |
| Cell volume | 1254.9 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0165 |
| Residual factor for significantly intense reflections | 0.015 |
| Weighted residual factors for significantly intense reflections | 0.0336 |
| Weighted residual factors for all reflections included in the refinement | 0.034 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181305 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/83. |
2238366.cif 2238366.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238366.cif 2238366.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238366.cif 2238366.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238366.cif 2238366.hkl |
| 88208 | 2013-09-04 | cif/ Adding structures of 2238366 via cif-deposit CGI script. |
2238366.cif |
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Users of the data should acknowledge the original authors of the
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