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Information card for entry 4344171
Preview
| Coordinates | 4344171.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 5,6-dimethyl-thieno[2,3-d][1,3]dithiole-2-thione |
|---|---|
| Formula | C7 H6 S4 |
| Calculated formula | C7 H6 S4 |
| SMILES | S=C1Sc2sc(c(c2S1)C)C |
| Title of publication | A Single-Component Conductor Based on a Radical Gold Dithiolene Complex with Alkyl-Substituted Thiophene-2,3-dithiolate Ligand. |
| Authors of publication | Higashino, Toshiki; Jeannin, Olivier; Kawamoto, Tadashi; Lorcy, Dominique; Mori, Takehiko; Fourmigué, Marc |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 20 |
| Pages of publication | 9908 - 9913 |
| a | 8.442 ± 0.003 Å |
| b | 10.174 ± 0.002 Å |
| c | 10.579 ± 0.003 Å |
| α | 90° |
| β | 94.13 ± 0.03° |
| γ | 90° |
| Cell volume | 906.3 ± 0.5 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0606 |
| Weighted residual factors for all reflections included in the refinement | 0.2189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.848 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4344171.cif |
| 170055 | 2015-11-06 | cif/ Updating files of 4344171, 4344172, 4344173, 4344174, 4344175 Original log message: Adding full bibliography for 4344171--4344175.cif. |
4344171.cif |
| 159542 | 2015-10-03 | cif/ Adding structures of 4344171, 4344172, 4344173, 4344174, 4344175 via cif-deposit CGI script. |
4344171.cif |
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Users of the data should acknowledge the original authors of the
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