Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7245055
Preview
| Coordinates | 7245055.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | C5H6NSbBr4 |
|---|---|
| Formula | C5 H6 Br4 N Sb |
| Calculated formula | C5 H6 Br4 N Sb |
| SMILES | [Sb](Br)([Br-])(Br)Br.c1cccc[nH+]1 |
| Title of publication | Insight on noncovalent interactions and orbital constructs in low-dimensional antimony halide perovskites |
| Authors of publication | Nicholas, Aaron D.; Garman, Leah C.; Albano, Nicolina; Cahill, Chris |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2022 |
| a | 7.592 ± 0.002 Å |
| b | 8.6466 ± 0.0018 Å |
| c | 8.775 ± 0.002 Å |
| α | 84.957 ± 0.007° |
| β | 89.797 ± 0.009° |
| γ | 84.688 ± 0.009° |
| Cell volume | 571.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0395 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0595 |
| Weighted residual factors for all reflections included in the refinement | 0.0626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275952 (current) | 2022-06-10 | cif/ Adding structures of 7245048, 7245049, 7245050, 7245051, 7245052, 7245053, 7245054, 7245055 via cif-deposit CGI script. |
7245055.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.