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Information card for entry 7241463
Preview
| Coordinates | 7241463.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H14 Au0.5 I N2 S12 |
|---|---|
| Calculated formula | C26 H14 Au0.5 I N2 S12 |
| Title of publication | Structural diversity in conducting bilayer salts (CNB-EDT-TTF)4A |
| Authors of publication | Santos, Isabel C.; Gama, Vasco; Rabaça, Sandra; Veiros, Luís F.; Nogueira, Fernando; Paixão, José A.; Almeida, Manuel |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 4.848 ± 0.0002 Å |
| b | 5.7558 ± 0.0002 Å |
| c | 27.297 ± 0.0012 Å |
| α | 89.436 ± 0.003° |
| β | 89.331 ± 0.002° |
| γ | 84.313 ± 0.002° |
| Cell volume | 757.87 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0648 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1194 |
| Weighted residual factors for all reflections included in the refinement | 0.1224 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.158 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259291 (current) | 2020-11-29 | cif/ Adding structures of 7241463, 7241464 via cif-deposit CGI script. |
7241463.cif |
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Users of the data should acknowledge the original authors of the
structural data.