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Information card for entry 7220222
Preview
| Coordinates | 7220222.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | cis-4",4"-bis(acetoxymethyl)cyclopenta-1,2-dithio)(ethylenedithio)tetrathiafulvalene |
|---|---|
| Formula | C19 H20 O4 S8 |
| Calculated formula | C19 H20 O4 S8 |
| Title of publication | A family of unsymmetrical hydroxyl-substituted BEDT-TTF donors: syntheses, structures and preliminary thin film studies |
| Authors of publication | Pilkington, Melanie; Wang, Qiang; Zecchini, Matteo; Wallis, John D.; Wu, Yiliang; Rawson, Jeremy Michael |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 6.5807 ± 0.0003 Å |
| b | 12.187 ± 0.0007 Å |
| c | 15.5413 ± 0.0009 Å |
| α | 111.004 ± 0.003° |
| β | 100.434 ± 0.003° |
| γ | 91.42 ± 0.003° |
| Cell volume | 1138.87 ± 0.11 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0353 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0734 |
| Weighted residual factors for all reflections included in the refinement | 0.0774 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7220222.cif |
| 135768 | 2015-05-08 | cif/ Adding structures of 7220220, 7220221, 7220222, 7220223, 7220224 via cif-deposit CGI script. |
7220222.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.