Information card for entry 7242679
| Formula |
C20 H19 Cl3 N4 O13 |
| Calculated formula |
C20 H19 Cl3 N4 O13 |
| SMILES |
Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].n1c(c2cc[nH+]cc2)cc(c2c[nH+]ccc2)cc1c1cc[nH+]cc1.O |
| Title of publication |
Anion-dependent structural variations and charge transport property analysis of 4′-(3-pyridyl)-4,2′:6′,4′′-terpyridinium salts |
| Authors of publication |
Hossain, Anowar; Dey, Arka; Seth, Saikat Kumar; Ray, Partha Pratim; Ortega-Castro, Joaquín; Frontera, Antonio; Mukhopadhyay, Subrata |
| Journal of publication |
CrystEngComm |
| Year of publication |
2021 |
| Journal volume |
23 |
| Journal issue |
19 |
| Pages of publication |
3569 - 3581 |
| a |
7.9128 ± 0.0005 Å |
| b |
12.1194 ± 0.0007 Å |
| c |
14.6144 ± 0.0009 Å |
| α |
111.868 ± 0.003° |
| β |
97.267 ± 0.003° |
| γ |
95.94 ± 0.003° |
| Cell volume |
1272.82 ± 0.14 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.081 |
| Residual factor for significantly intense reflections |
0.074 |
| Weighted residual factors for significantly intense reflections |
0.2187 |
| Weighted residual factors for all reflections included in the refinement |
0.2272 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.064 |
| 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/7242679.html
