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Information card for entry 7245054
Preview
| Coordinates | 7245054.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H5 Br4 Cl N Sb |
|---|---|
| Calculated formula | C5 H5 Br4 Cl N Sb |
| SMILES | [Sb](Br)(Br)([Br-])Br.c1[nH+]ccc(Cl)c1 |
| 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 | 7.4582 ± 0.0005 Å |
| b | 27.95 ± 0.003 Å |
| c | 11.8379 ± 0.0015 Å |
| α | 90° |
| β | 93.543 ± 0.004° |
| γ | 90° |
| Cell volume | 2463 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0286 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for significantly intense reflections | 0.0536 |
| Weighted residual factors for all reflections included in the refinement | 0.0547 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| 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. |
7245054.cif |
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Users of the data should acknowledge the original authors of the
structural data.