Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7721172
Preview
| Coordinates | 7721172.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H28 Br4 F4 Mn P2 |
|---|---|
| Calculated formula | C20 H28 Br4 F4 Mn P2 |
| Title of publication | Halogen Substitution of Aromatic Cations for Phase Transition Control and High-Efficiency Luminescence in 0D Manganese-Based Hybrid Perovskites |
| Authors of publication | Yu, Kaijian; Ye, Qiong; Wu, Yuechuan; Yang, Yawen |
| Journal of publication | Dalton Transactions |
| Year of publication | 2026 |
| a | 13.275 ± 0.0008 Å |
| b | 16.5198 ± 0.0009 Å |
| c | 13.4709 ± 0.0008 Å |
| α | 90° |
| β | 90.47 ± 0.005° |
| γ | 90° |
| Cell volume | 2954.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1161 |
| Residual factor for significantly intense reflections | 0.0689 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.1066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306671 (current) | 2026-06-28 | cif/ Adding structures of 7721172, 7721173 via cif-deposit CGI script. |
7721172.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.