Information card for entry 7213149
| Formula |
C39 H42 Cl3 I3 S24 |
| Calculated formula |
C36 Cl3 I3 S24 |
| Title of publication |
Crystal structures and optical properties of cation radical salts of a tetrathiafulvalene trisannulated macrocycle |
| Authors of publication |
Akutagawa, Tomoyuki; Abe, Yukako; Hasegawa, Tatsuo; Nakamura, Takayoshi; Inabe, Tamotsu; Sugiura, Kenich; Sakata, Yoshiteru; Christensen, Christian A.; Lau, Jesper; Becher, Jan |
| Journal of publication |
Journal of Materials Chemistry |
| Year of publication |
1999 |
| Journal volume |
9 |
| Journal issue |
11 |
| Pages of publication |
2737 |
| a |
13.653 ± 0.002 Å |
| b |
20.303 ± 0.003 Å |
| c |
12.677 ± 0.001 Å |
| α |
104.622 ± 0.01° |
| β |
116.501 ± 0.007° |
| γ |
81.65 ± 0.01° |
| Cell volume |
3040.8 ± 0.7 Å3 |
| Cell temperature |
196.2 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 |
0.0073 |
| Weighted residual factors for significantly intense reflections |
0.0793 |
| Goodness-of-fit parameter for all reflections |
1.69 |
| Diffraction radiation wavelength |
0.7107 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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