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Information card for entry 1567015
Preview
| Coordinates | 1567015.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H10 Br2 N6 Zn |
|---|---|
| Calculated formula | C12 H10 Br2 N6 Zn |
| SMILES | Br[Zn](Br)([n]1n[nH]c2c1cccc2)[n]1n[nH]c2c1cccc2 |
| Title of publication | Color-tunable persistent luminescence in 1D zinc–organic halide microcrystals for single-component white light and temperature-gating optical waveguides |
| Authors of publication | Zhou, Bo; Yan, Dongpeng |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 7.8171 ± 0.0003 Å |
| b | 14.4787 ± 0.0004 Å |
| c | 13.5772 ± 0.0004 Å |
| α | 90° |
| β | 94.249 ± 0.003° |
| γ | 90° |
| Cell volume | 1532.46 ± 0.09 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0229 |
| Residual factor for significantly intense reflections | 0.0211 |
| Weighted residual factors for significantly intense reflections | 0.0531 |
| Weighted residual factors for all reflections included in the refinement | 0.054 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275644 (current) | 2022-05-26 | cif/ Adding structures of 1567014, 1567015, 1567016 via cif-deposit CGI script. |
1567015.cif |
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