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Information card for entry 4130198
Preview
| Coordinates | 4130198.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H16 F6 S4 Ta |
|---|---|
| Calculated formula | C28 H16 F6 S4 Ta |
| SMILES | c12sc3ccccc3c2sc2ccccc12.F[Ta](F)(F)(F)(F)[F-].c1cccc2c1sc1c3ccccc3sc21 |
| Title of publication | Benzothienobenzothiophene-Based Molecular Conductors: High Conductivity, Large Thermoelectric Power Factor, and One-Dimensional Instability. |
| Authors of publication | Kiyota, Yasuhiro; Kadoya, Tomofumi; Yamamoto, Kaoru; Iijima, Kodai; Higashino, Toshiki; Kawamoto, Tadashi; Takimiya, Kazuo; Mori, Takehiko |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 11 |
| Pages of publication | 3920 - 3925 |
| a | 13.763 ± 0.003 Å |
| b | 13.763 ± 0.003 Å |
| c | 6.746 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1277.8 ± 0.9 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for all reflections included in the refinement | 0.1459 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240727 (current) | 2019-11-25 | cif/ Adding structures of 4130198 via cif-deposit CGI script. |
4130198.cif |
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Users of the data should acknowledge the original authors of the
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