Information card for entry 1569472
| Formula |
C20 H15 Cl2 I N4 |
| Calculated formula |
C20 H15 Cl2 I N4 |
| Title of publication |
2-(5,6-Diphenyl-1,2,4-Triazin-3-yl)pyridinium Dichloroiodate (I) |
| Authors of publication |
Aragoni, M. Carla; Lippolis, Vito; Mancini, Annalisa; Pintus, Anna; Podda, Enrico; Orton, James B.; Coles, Simon J.; Arca, Massimiliano |
| Journal of publication |
Molbank |
| Year of publication |
2023 |
| Journal volume |
2023 |
| Journal issue |
2 |
| Pages of publication |
M1662 |
| a |
17.7427 ± 0.0013 Å |
| b |
7.4326 ± 0.0005 Å |
| c |
15.5351 ± 0.0012 Å |
| α |
90° |
| β |
100.659 ± 0.007° |
| γ |
90° |
| Cell volume |
2013.3 ± 0.3 Å3 |
| Cell temperature |
120 ± 2 K |
| Ambient diffraction temperature |
120 ± 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 |
0.0335 |
| Residual factor for significantly intense reflections |
0.027 |
| Weighted residual factors for significantly intense reflections |
0.0604 |
| Weighted residual factors for all reflections included in the refinement |
0.0634 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.072 |
| 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/1569472.html
