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Information card for entry 1574380
Preview
| Coordinates | 1574380.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H11 Br3 N2 Zn |
|---|---|
| Calculated formula | C7 H11 Br3 N2 Zn |
| Title of publication | Tuning Covalent Bonding in Znic-Based Hybrid Halides towards Tunable Room-Temperature Phosphorescence |
| Authors of publication | Cui, Yibo; Lin, Jiawei; Liu, Kunjie; Shao, Yuhe; Zhao, Dong; Guo, Zhongnan; Zhao, Jing; Xia, Zhiguo; Liu, Quanlin |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 7.7054 ± 0.0002 Å |
| b | 12.3265 ± 0.0003 Å |
| c | 12.5814 ± 0.0003 Å |
| α | 90° |
| β | 92.11 ± 0.001° |
| γ | 90° |
| Cell volume | 1194.18 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 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 | 0.0369 |
| Residual factor for significantly intense reflections | 0.0243 |
| Weighted residual factors for significantly intense reflections | 0.0497 |
| Weighted residual factors for all reflections included in the refinement | 0.0535 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299256 (current) | 2025-04-11 | cif/ Adding structures of 1574378, 1574379, 1574380, 1574381, 1574382, 1574383, 1574384, 1574385, 1574386, 1574387, 1574388 via cif-deposit CGI script. |
1574380.cif |
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Users of the data should acknowledge the original authors of the
structural data.