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Information card for entry 4344172
Preview
| Coordinates | 4344172.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 5-methyl-6-ethyl-thieno[2,3-d][1,3]dithiole-2-thione |
|---|---|
| Formula | C8 H8 S4 |
| Calculated formula | C8 H8 S4 |
| SMILES | C1(=S)Sc2c(c(c(C)s2)CC)S1 |
| 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 | 9.6042 ± 0.0003 Å |
| b | 10.2419 ± 0.0004 Å |
| c | 10.597 ± 0.0004 Å |
| α | 90° |
| β | 102.974 ± 0.005° |
| γ | 90° |
| Cell volume | 1015.77 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.0651 |
| Weighted residual factors for all reflections included in the refinement | 0.0747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4344172.cif |
| 170055 | 2015-11-06 | cif/ Updating files of 4344171, 4344172, 4344173, 4344174, 4344175 Original log message: Adding full bibliography for 4344171--4344175.cif. |
4344172.cif |
| 159542 | 2015-10-03 | cif/ Adding structures of 4344171, 4344172, 4344173, 4344174, 4344175 via cif-deposit CGI script. |
4344172.cif |
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Users of the data should acknowledge the original authors of the
structural data.