Information card for entry 7204390
| Formula |
C54 H29 Cl F12 N8 O4 P2 S16 |
| Calculated formula |
C54 H28 Cl F12 N8 O4 P2 S16 |
| Title of publication |
Structural phase transition in quasi-one-dimensional conductors (BDTFP)2X(PhCl)0.5 (X = PF6 and AsF6) [BDTFP = 5,7-bis(1,3-dithiol-2-ylidene)-5,7-dihydrofuro[3,4-b]pyrazine; PhCl = chlorobenzene] |
| Authors of publication |
Uruichi, M.; Yakushi, K.; Shirahata, T.; Takahashi, K.; Mori, T.; Nakamura, T. |
| Journal of publication |
Journal of Materials Chemistry |
| Year of publication |
2002 |
| Journal volume |
12 |
| Journal issue |
9 |
| Pages of publication |
2696 |
| a |
15.438 ± 0.005 Å |
| b |
16.147 ± 0.002 Å |
| c |
6.9811 ± 0.0008 Å |
| α |
100.911 ± 0.009° |
| β |
101.81 ± 0.02° |
| γ |
97.25 ± 0.02° |
| Cell volume |
1647.8 ± 0.6 Å3 |
| Cell temperature |
290 K |
| Number of distinct elements |
8 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for significantly intense reflections |
0.0473 |
| Weighted residual factors for all reflections included in the refinement |
0.0502 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.656 |
| Diffraction radiation wavelength |
0.7107 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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