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Information card for entry 2240351
Preview
| Coordinates | 2240351.cif |
|---|---|
| Structure factors | 2240351.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 1,1-[Pyridine-2,6-diylbis(methylene)]bis(4-methyl-1<i>H</i>-1,2,4-triazol-4-ium) iodide triiodide |
|---|---|
| Formula | C13 H17 I4 N7 |
| Calculated formula | C13 H17 I4 N7 |
| Title of publication | Crystal structures of 2,6-bis[(1<i>H</i>-1,2,4-triazol-1-yl)methyl]pyridine and 1,1-[pyridine-2,6-diylbis(methylene)]bis(4-methyl-1<i>H</i>-1,2,4-triazol-4-ium) iodide triiodide |
| Authors of publication | Guino-o, Marites A.; Folstad, Matthew J.; Janzen, Daron E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 2 |
| Pages of publication | 128 - 132 |
| a | 13.784 ± 0.003 Å |
| b | 10.01 ± 0.003 Å |
| c | 16.709 ± 0.004 Å |
| α | 90° |
| β | 102.648 ± 0.007° |
| γ | 90° |
| Cell volume | 2249.5 ± 1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0446 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0766 |
| Weighted residual factors for all reflections included in the refinement | 0.0799 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240351.cif 2240351.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240351.cif 2240351.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240351.cif 2240351.hkl |
| 129343 | 2015-01-04 | cif/ hkl/ Adding structures of 2240350, 2240351 via cif-deposit CGI script. |
2240351.cif 2240351.hkl |
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