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Information card for entry 7228836
Preview
| Coordinates | 7228836.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199479 (current) | 2017-08-03 | cif/ Adding structures of 7228833, 7228834, 7228835, 7228836, 7228837, 7228838 via cif-deposit CGI script. |
7228836.cif |
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