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Information card for entry 1571956
Preview
| Coordinates | 1571956.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Au(bdt)(Et-thiazdt)] |
|---|---|
| Chemical name | (Benzene-1,2-dithiolate)(N-Ethyl-thiazoline-2-one-4,5-dithiolate)gold |
| Formula | C11 H9 Au N S6 |
| Calculated formula | C11 H9 Au N S6 |
| Title of publication | Mixed-ligand, radical, gold bis(dithiolene) complexes: from single-component conductors to controllable NIR-II absorbers. |
| Authors of publication | Kharraz, Haia; Alemany, Pere; Canadell, Enric; Le Gal, Yann; Roisnel, Thierry; Cui, Hengbo; Kim, Kee Hoon; Fourmigué, Marc; Lorcy, Dominique |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 29 |
| Pages of publication | 11604 - 11616 |
| a | 7.5222 ± 0.0006 Å |
| b | 7.5384 ± 0.0006 Å |
| c | 13.3073 ± 0.0013 Å |
| α | 94.405 ± 0.003° |
| β | 97.176 ± 0.003° |
| γ | 94.089 ± 0.003° |
| Cell volume | 743.97 ± 0.11 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0198 |
| Residual factor for significantly intense reflections | 0.0187 |
| Weighted residual factors for significantly intense reflections | 0.046 |
| Weighted residual factors for all reflections included in the refinement | 0.0467 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.91 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293731 (current) | 2024-08-05 | cif/ Updating files of 1571955, 1571956, 1571957, 1571958, 1571959 Original log message: Adding full bibliography for 1571955--1571959.cif. |
1571956.cif |
| 292518 | 2024-06-22 | cif/ Adding structures of 1571955, 1571956, 1571957, 1571958, 1571959 via cif-deposit CGI script. |
1571956.cif |
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Users of the data should acknowledge the original authors of the
structural data.