Information card for entry 2004125
| Chemical name |
3,4;3',4'-Bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene Hexafluorophosphate Chloroacetyl chloride solvate |
| Formula |
C11 H9 Cl F3 O0.5 P0.5 S8 |
| Calculated formula |
C12 H8 Cl F3 O P0.5 S8 |
| Title of publication |
Three BEDT-TTF Salts |
| Authors of publication |
Abboud, K. A.; Chou, L.-K.; Clevenger, M. B.; de Oliveira, G. F.; Talham, D. R. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1995 |
| Journal volume |
51 |
| Journal issue |
11 |
| Pages of publication |
2356 - 2362 |
| a |
6.853 ± 0.001 Å |
| b |
7.878 ± 0.001 Å |
| c |
18.299 ± 0.003 Å |
| α |
79.11 ± 0.01° |
| β |
82.37 ± 0.01° |
| γ |
68.96 ± 0.01° |
| Cell volume |
903.2 ± 0.2 Å3 |
| Cell temperature |
298 K |
| Ambient diffraction temperature |
298 K |
| Number of distinct elements |
7 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0599 |
| Residual factor for significantly intense reflections |
0.0397 |
| Weighted residual factors for all reflections |
0.0487 |
| Weighted residual factors for significantly intense reflections |
0.0455 |
| Goodness-of-fit parameter for significantly intense reflections |
1.42 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/2004125.html
