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Information card for entry 7220224
Preview
| Coordinates | 7220224.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Hydroxymethyl-(BEDT-TTF) triiodide |
|---|---|
| Formula | C11 H10 I3 O S8 |
| Calculated formula | C11 H6 I3.00033 O 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 | 14.5595 ± 0.0007 Å |
| b | 13.7315 ± 0.0007 Å |
| c | 33.707 ± 0.003 Å |
| α | 90° |
| β | 98.022 ± 0.006° |
| γ | 90° |
| Cell volume | 6672.9 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 2/c 1 1 |
| Hall space group symbol | -I 2yc |
| Residual factor for all reflections | 0.1171 |
| Residual factor for significantly intense reflections | 0.0893 |
| Weighted residual factors for significantly intense reflections | 0.1987 |
| Weighted residual factors for all reflections included in the refinement | 0.214 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 135768 (current) | 2015-05-08 | cif/ Adding structures of 7220220, 7220221, 7220222, 7220223, 7220224 via cif-deposit CGI script. |
7220224.cif |
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Users of the data should acknowledge the original authors of the
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