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Information card for entry 7245324
Preview
| Coordinates | 7245324.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H14 F6 P S6 |
|---|---|
| Calculated formula | C12 H14 F6 P S6 |
| Title of publication | Chiral diethyl-EDT-TTF and tetraethyl-BEDT-TTF: synthesis, structural characterization, radical cation salt and charge transfer complexes |
| Authors of publication | Mroweh, Nabil; Cauchy, Thomas; Vanthuyne, Nicolas; Avarvari, Narcis |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 8.1638 ± 0.0004 Å |
| b | 15.558 ± 0.003 Å |
| c | 16.203 ± 0.003 Å |
| α | 68.67 ± 0.01° |
| β | 88.608 ± 0.008° |
| γ | 87.047 ± 0.008° |
| Cell volume | 1914.4 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0884 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.102 |
| Weighted residual factors for all reflections included in the refinement | 0.1157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277262 (current) | 2022-08-17 | cif/ Adding structures of 7245316, 7245317, 7245318, 7245319, 7245320, 7245321, 7245322, 7245323, 7245324, 7245325 via cif-deposit CGI script. |
7245324.cif |
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Users of the data should acknowledge the original authors of the
structural data.