Information card for entry 7204326
| Formula |
C22 H12 N4 O2 S6 |
| Calculated formula |
C22 H12 N4 O2 S6 |
| SMILES |
C1(SC2=C(S1)SCCS2)=C1SC2=C(OCCO2)S1.C(#N)C(C#N)=C1C=CC(C=C1)=C(C#N)C#N |
| Title of publication |
Complex formation of ethylenedioxyethylenedithiotetrathiafulvalene (EDOEDT-TTF: EOET) and its self-assembling ability |
| Authors of publication |
Saito, Gunzi; Sasaki, Hiroshi; Aoki, Takashi; Yoshida, Yukihiro; Otsuka, Akihiro; Yamochi, Hideki; Drozdova, Olga O.; Yakushi, Kyuya; Kitagawa, Hiroshi; Mitani, Tadaoki |
| Journal of publication |
Journal of Materials Chemistry |
| Year of publication |
2002 |
| Journal volume |
12 |
| Journal issue |
6 |
| Pages of publication |
1640 |
| a |
7.213 ± 0.003 Å |
| b |
19.856 ± 0.005 Å |
| c |
4.041 ± 0.0009 Å |
| α |
92.08 ± 0.01° |
| β |
89.61 ± 0.02° |
| γ |
95.59 ± 0.01° |
| Cell volume |
575.6 ± 0.3 Å3 |
| Cell temperature |
295 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
1 |
| Hermann-Mauguin space group symbol |
P 1 |
| Hall space group symbol |
P 1 |
| Residual factor for significantly intense reflections |
0.057 |
| Weighted residual factors for significantly intense reflections |
0.134 |
| Goodness-of-fit parameter for significantly intense reflections |
1.071 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoK-alpha |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/7204326.html
