Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7246222
Preview
| Coordinates | 7246222.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 Cd Cl4 N2 |
|---|---|
| Calculated formula | C16 Cd Cl4 N2 |
| Title of publication | Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4] |
| Authors of publication | Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 8 |
| Pages of publication | 1270 - 1275 |
| a | 5.3091 ± 0.0001 Å |
| b | 5.3091 ± 0.0001 Å |
| c | 39.5281 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1114.16 ± 0.06 Å3 |
| Cell temperature | 403 ± 0.1 K |
| Ambient diffraction temperature | 403.15 K |
| Number of distinct elements | 4 |
| Space group number | 139 |
| Hermann-Mauguin space group symbol | I 4/m m m |
| Hall space group symbol | -I 4 2 |
| Residual factor for all reflections | 0.0331 |
| Residual factor for significantly intense reflections | 0.0313 |
| Weighted residual factors for significantly intense reflections | 0.0836 |
| Weighted residual factors for all reflections included in the refinement | 0.0842 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281415 (current) | 2023-03-04 | cif/ Updating files of 7246220, 7246221, 7246222, 7246223, 7246224, 7246225 Original log message: Adding full bibliography for 7246220--7246225.cif. |
7246222.cif |
| 280712 | 2023-02-01 | cif/ Adding structures of 7246220, 7246221, 7246222, 7246223, 7246224, 7246225 via cif-deposit CGI script. |
7246222.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.