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Information card for entry 1565074
Preview
| Coordinates | 1565074.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H24 Cl2 N2 O4 |
|---|---|
| Calculated formula | C18 H24 Cl2 N2 O4 |
| SMILES | [Cl-].[Cl-].c12OCOc1ccc(CC[NH3+])c2.c1(CC[NH3+])cc2c(OCO2)cc1 |
| 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 | 5.97246 ± 0.00016 Å |
| b | 9.0205 ± 0.0002 Å |
| c | 36.0997 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1944.86 ± 0.08 Å3 |
| Cell temperature | 292.9 ± 0.6 K |
| Ambient diffraction temperature | 292.9 ± 0.6 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P b c 21 |
| Hall space group symbol | P 2c -2b |
| Residual factor for all reflections | 0.091 |
| Residual factor for significantly intense reflections | 0.0884 |
| Weighted residual factors for significantly intense reflections | 0.2492 |
| Weighted residual factors for all reflections included in the refinement | 0.2533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation probe | x-ray |
| 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. |
1565074.cif |
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Users of the data should acknowledge the original authors of the
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