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Information card for entry 1565075
Preview
| Coordinates | 1565075.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H13 Br N O2 |
|---|---|
| Calculated formula | C9 H12 Br N O2 |
| Title of publication | A metal-free 2D layered organic ammonium halide framework realizing full-color persistent room-temperature phosphorescence |
| Authors of publication | Feng, Shangwei; Huang, Qiuqin; Yang, Shuming; Lin, Zhenghuan; Ling, Qidan |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 35.8606 ± 0.0014 Å |
| b | 4.5496 ± 0.0001 Å |
| c | 6.1929 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1010.38 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0677 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.1359 |
| Weighted residual factors for all reflections included in the refinement | 0.1516 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 0.71 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270111 (current) | 2021-10-29 | cif/ Adding structures of 1565074, 1565075 via cif-deposit CGI script. |
1565075.cif |
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Users of the data should acknowledge the original authors of the
structural data.