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Information card for entry 1567016
Preview
| Coordinates | 1567016.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H15 Cl2 N4 Zn |
|---|---|
| Calculated formula | C14 H14 Cl2 N6 Zn |
| SMILES | [Zn](Cl)(Cl)([n]1c2c([nH]n1)ccc(c2)C)[n]1c2ccc(cc2[nH]n1)C |
| 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 | 7.5306 ± 0.0004 Å |
| b | 8.4502 ± 0.0004 Å |
| c | 14.2634 ± 0.0004 Å |
| α | 106.449 ± 0.003° |
| β | 92.468 ± 0.004° |
| γ | 101.093 ± 0.004° |
| Cell volume | 849.64 ± 0.07 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.0688 |
| Residual factor for significantly intense reflections | 0.0617 |
| Weighted residual factors for significantly intense reflections | 0.1736 |
| Weighted residual factors for all reflections included in the refinement | 0.1783 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| 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. |
1567016.cif |
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Users of the data should acknowledge the original authors of the
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