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Information card for entry 2240823
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| Coordinates | 2240823.cif |
|---|---|
| Structure factors | 2240823.hkl |
| Original IUCr paper | HTML |
| Common name | Diiodo-pyridine |
|---|---|
| Chemical name | Pyridine‒diiodine (1/1) |
| Formula | C5 H5 I2 N |
| Calculated formula | C5 H5 I2 N |
| SMILES | I[n+]1ccccc1.[I-] |
| Title of publication | Crystal structure of the pyridine‒diiodine (1/1) adduct |
| Authors of publication | Tuikka, Matti; Haukka, Matti |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | o463 |
| a | 9.2432 ± 0.0006 Å |
| b | 4.3392 ± 0.0002 Å |
| c | 20.1953 ± 0.0013 Å |
| α | 90° |
| β | 98.468 ± 0.003° |
| γ | 90° |
| Cell volume | 801.16 ± 0.08 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0725 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Weighted residual factors for all reflections included in the refinement | 0.0912 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240823.cif 2240823.hkl |
| 139191 | 2015-06-14 | cif/ hkl/ Adding structures of 2240823 via cif-deposit CGI script. |
2240823.cif 2240823.hkl |
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Users of the data should acknowledge the original authors of the
structural data.