Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7250299
Preview
| Coordinates | 7250299.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H39 Bi2 Br12 N3 |
|---|---|
| Calculated formula | C15 H39 Bi2 Br12 N3 |
| Title of publication | Novel lead-free bismuth-based perovskite-like (BrC5H13N)3Bi2Br9: synthesis, structural investigations and optoelectronic properties |
| Authors of publication | Ben Elhaj, Yassine; Hajlaoui, Fadhel; Karoui, Karim; Allain, Magali; Mercier, Nicolas; Kozma, Erika; Botta, Chiara; Zouari, Nabil |
| Journal of publication | RSC Advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 16 |
| Pages of publication | 12834 - 12842 |
| a | 9.1942 ± 0.0006 Å |
| b | 11.9957 ± 0.0013 Å |
| c | 35.471 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3912.1 ± 0.5 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0665 |
| Residual factor for significantly intense reflections | 0.0599 |
| Weighted residual factors for significantly intense reflections | 0.1353 |
| Weighted residual factors for all reflections included in the refinement | 0.1447 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299364 (current) | 2025-04-23 | cif/ Adding structures of 7250299 via cif-deposit CGI script. |
7250299.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.