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Information card for entry 7208434
Preview
| Coordinates | 7208434.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H9 I3 N4 S |
|---|---|
| Calculated formula | C12 H9 I3 N4 S |
| Title of publication | Cationic and anionic 1D chains based on NH+⋯N charge-assisted hydrogen bonds in bipyridyl derivatives and polyiodides |
| Authors of publication | Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Castellano, Carlo; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Montis, Riccardo; Pintus, Anna |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 18 |
| Pages of publication | 5809 |
| a | 16.011 ± 0.003 Å |
| b | 5.987 ± 0.0012 Å |
| c | 19.649 ± 0.004 Å |
| α | 90° |
| β | 111.46 ± 0.03° |
| γ | 90° |
| Cell volume | 1752.9 ± 0.7 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0585 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.07 |
| Weighted residual factors for all reflections included in the refinement | 0.0787 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7208434.cif |
| 180415 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/84. |
7208434.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7208434.cif |
| 66462 | 2012-09-11 | cif/ Adding structures of 7208434, 7208435, 7208436, 7208437, 7208438, 7208439 via cif-deposit CGI script. |
7208434.cif |
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Users of the data should acknowledge the original authors of the
structural data.