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Information card for entry 7241257
Preview
| Coordinates | 7241257.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H12 I5 S12 |
|---|---|
| Calculated formula | C22 H12 I5 S12 |
| Title of publication | Synthesis and Structures of Polyiodide Radical Cation Salts of Donors Combining Tetrathiafulvalene with Multiple Thiophene or Oligo-thiophene Substituents. |
| Authors of publication | Short, Jonni; Blundell, Toby J.; Yang, Songjie; Sahin, Onur; Shakespeare, Yiana; Smith, Emma Louise; Martin, Lee; Wallis, John D. |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 13.6688 ± 0.0003 Å |
| b | 16.1393 ± 0.0004 Å |
| c | 17.049 ± 0.0004 Å |
| α | 90° |
| β | 105.18 ± 0.002° |
| γ | 90° |
| Cell volume | 3629.86 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0641 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Weighted residual factors for all reflections included in the refinement | 0.1181 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 256486 (current) | 2020-09-17 | cif/ Adding structures of 7241254, 7241255, 7241256, 7241257, 7241258, 7241259 via cif-deposit CGI script. |
7241257.cif |
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Users of the data should acknowledge the original authors of the
structural data.