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Information card for entry 2108623
Preview
| Coordinates | 2108623.cif |
|---|---|
| Structure factors | 2108623.hkl |
| Original paper (by DOI) | HTML |
| Formula | C23 H16 Ag2 N3 S16 |
|---|---|
| Calculated formula | C23 H16 Ag2 N3 S16 |
| Title of publication | New insights into the structural properties of κ-(BEDT-TTF)~2~Ag~2~(CN)~3~ spin liquid |
| Authors of publication | Foury-Leylekian, Pascale; Ilakovac, Vita; Fertey, Pierre; Baledent, Victor; Milat, Ognjen; Miyagawa, Kazuya; Kanoda, Kazushi; Hiramatsu, Takaaki; Yoshida, Yukihiro; Saito, Gunzi; Alemany, Pere; Canadell, Enric; Tomic, Silvia; Pouget, Jean-Paul |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 4 |
| a | 15.0062 ± 0.0003 Å |
| b | 8.582 ± 0.0001 Å |
| c | 13.3243 ± 0.0003 Å |
| α | 89.984 ± 0.002° |
| β | 91.447 ± 0.002° |
| γ | 90.002 ± 0.001° |
| Cell volume | 1715.4 ± 0.06 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0564 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.0734 |
| Weighted residual factors for all reflections included in the refinement | 0.075 |
| Goodness-of-fit parameter for significantly intense reflections | 2.82 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.54 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.6717 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254173 (current) | 2020-07-10 | cif/ hkl/ Adding structures of 2108623, 2108624 via cif-deposit CGI script. |
2108623.cif 2108623.hkl |
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Users of the data should acknowledge the original authors of the
structural data.