Information card for entry 7208434
| 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 |
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https://www.crystallography.net/7208434.html
