Information card for entry 7234232
| Formula |
C22 H16 N4 S6 |
| Calculated formula |
C22 H16 N4 S6 |
| Title of publication |
Electronic engineering of a tetrathiafulvalene charge-transfer salt via reduced symmetry induced by combined substituents |
| Authors of publication |
Kiyota, Yasuhiro; Jeon, Ie-Rang; Jeannin, olivier; Beau, Maxime; Kawamoto, Tadashi; Alemany, Pere; Canadell, Enric; Mori, Takehiko; Fourmigue, Marc |
| Journal of publication |
Physical Chemistry Chemical Physics |
| Year of publication |
2019 |
| a |
3.8415 ± 0.0003 Å |
| b |
7.627 ± 0.0007 Å |
| c |
18.9474 ± 0.0017 Å |
| α |
90.79 ± 0.003° |
| β |
90.292 ± 0.003° |
| γ |
93.35 ± 0.003° |
| Cell volume |
554.13 ± 0.08 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0442 |
| Residual factor for significantly intense reflections |
0.0377 |
| Weighted residual factors for significantly intense reflections |
0.0874 |
| Weighted residual factors for all reflections included in the refinement |
0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.133 |
| Diffraction radiation probe |
x-ray |
| 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/7234232.html
