Information card for entry 7228836
Formula |
C14 H18 Cl O6 S8 |
Calculated formula |
C14 H18 Cl O6 S8 |
Title of publication |
New semiconducting radical-cation salts of chiral bis(2-hydroxylpropylthio)ethylenedithio TTF |
Authors of publication |
Lopez, Jordan R.; Martin, Lee; Wallis, John D.; Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin-ichi; Wilson, Claire; Christensen, Jeppe; Coles, Simon J. |
Journal of publication |
CrystEngComm |
Year of publication |
2017 |
a |
7.707 ± 0.016 Å |
b |
21.04 ± 0.04 Å |
c |
26.59 ± 0.05 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
4312 ± 15 Å3 |
Cell temperature |
100 K |
Ambient diffraction temperature |
100 ± 2 K |
Number of distinct elements |
5 |
Space group number |
20 |
Hermann-Mauguin space group symbol |
C 2 2 21 |
Hall space group symbol |
C 2c 2 |
Residual factor for all reflections |
0.2257 |
Residual factor for significantly intense reflections |
0.1393 |
Weighted residual factors for significantly intense reflections |
0.3193 |
Weighted residual factors for all reflections included in the refinement |
0.3991 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.031 |
Diffraction radiation wavelength |
0.6889 Å |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
No |
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https://www.crystallography.net/7228836.html