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Information card for entry 4338304
Preview
| Coordinates | 4338304.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H12 S8 |
|---|---|
| Calculated formula | C10 H12 S8 |
| SMILES | S1C(=C2SC(=C(SC)S2)SC)SC(=C1SC)SC |
| Title of publication | Stabilizing radical cation and dication of a tetrathiafulvalene derivative by a weakly coordinating anion. |
| Authors of publication | Gao, Feng; Zhu, Fei-Fei; Wang, Xing-Yong; Xu, Yan; Wang, Xin-Ping; Zuo, Jing-Lin |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 10 |
| Pages of publication | 5321 - 5327 |
| a | 13.876 ± 0.003 Å |
| b | 7.7082 ± 0.0018 Å |
| c | 15.541 ± 0.004 Å |
| α | 90° |
| β | 106.999 ± 0.002° |
| γ | 90° |
| Cell volume | 1589.6 ± 0.7 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0314 |
| Residual factor for significantly intense reflections | 0.0262 |
| Weighted residual factors for significantly intense reflections | 0.0907 |
| Weighted residual factors for all reflections included in the refinement | 0.1157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4338304.cif |
| 179486 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/83. |
4338304.cif |
| 115708 | 2014-06-05 | cif/ Updating files of 4338304, 4338305, 4338306 Original log message: Adding full bibliography for 4338304--4338306.cif. |
4338304.cif |
| 112636 | 2014-05-03 | cif/ Adding structures of 4338304, 4338305, 4338306 via cif-deposit CGI script. |
4338304.cif |
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Users of the data should acknowledge the original authors of the
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