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Information card for entry 1565832
Preview
| Coordinates | 1565832.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Anthracene-DTTCNQ |
|---|---|
| Formula | C30 H14 N4 S2 |
| Calculated formula | C30 H14 N4 S2 |
| Title of publication | Growth direction dependent separate-channel charge transport in the organic weak charge-transfer co-crystal of anthracene-DTTCNQ. |
| Authors of publication | Jiang, Hui; Ye, Jun; Hu, Peng; Zhu, Shengli; Liang, Yanqin; Cui, Zhenduo; Kloc, Christian; Hu, Wenping |
| Journal of publication | Materials horizons |
| Year of publication | 2022 |
| Journal volume | 9 |
| Journal issue | 3 |
| Pages of publication | 1057 - 1067 |
| a | 7.3775 ± 0.0004 Å |
| b | 9.3783 ± 0.0006 Å |
| c | 9.4318 ± 0.0006 Å |
| α | 61.214 ± 0.002° |
| β | 89.717 ± 0.002° |
| γ | 73.611 ± 0.002° |
| Cell volume | 542 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1006 |
| Residual factor for significantly intense reflections | 0.0687 |
| Weighted residual factors for significantly intense reflections | 0.1285 |
| Weighted residual factors for all reflections included in the refinement | 0.1415 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275077 (current) | 2022-05-05 | cif/ Updating files of 1565832 Original log message: Adding full bibliography for 1565832.cif. |
1565832.cif |
| 271615 | 2021-12-24 | cif/ Adding structures of 1565832 via cif-deposit CGI script. |
1565832.cif |
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Users of the data should acknowledge the original authors of the
structural data.