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Information card for entry 7241255
Preview
| Coordinates | 7241255.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H8 I6 S10 |
|---|---|
| Calculated formula | C16 H8 I6 S10 |
| 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 | 11.5148 ± 0.0003 Å |
| b | 18.1689 ± 0.0005 Å |
| c | 29.3477 ± 0.0012 Å |
| α | 90° |
| β | 91.157 ± 0.003° |
| γ | 90° |
| Cell volume | 6138.6 ± 0.3 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150.15 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1726 |
| Residual factor for significantly intense reflections | 0.0979 |
| Weighted residual factors for significantly intense reflections | 0.1593 |
| Weighted residual factors for all reflections included in the refinement | 0.1835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| 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. |
7241255.cif |
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Users of the data should acknowledge the original authors of the
structural data.