Information card for entry 7204330
| Formula |
C26 H16 I4 O6 S12 |
| Calculated formula |
C26 H16 I4 O6 S12 |
| SMILES |
C1(=C2SC3=C(OCCO3)S2)SC2=C(S1)SCCS2.IC1=C(I)C(=O)C(=C(C1=O)I)I.C1(=C2SC3=C(OCCO3)S2)SC2=C(S1)SCCS2 |
| 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 |
8.12 ± 0.0005 Å |
| b |
12 ± 0.0009 Å |
| c |
10.967 ± 0.0005 Å |
| α |
69.558 ± 0.004° |
| β |
108.343 ± 0.004° |
| γ |
104.786 ± 0.004° |
| Cell volume |
937.68 ± 0.11 Å3 |
| Cell temperature |
295 ± 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 significantly intense reflections |
0.033 |
| Weighted residual factors for significantly intense reflections |
0.099 |
| Goodness-of-fit parameter for significantly intense reflections |
1.029 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoK-alpha |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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