Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8104942
Preview
| Coordinates | 8104942.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1-bromo-4-iodo-benzene |
|---|---|
| Chemical name | 1-bromo-4-iodo-benzene |
| Formula | C6 H4 Br I |
| Calculated formula | C6 H4 Br I |
| Title of publication | The crystal structure of 1-bromo-4-iodo-benzene, C6H4BrI |
| Authors of publication | Hosten, Eric C.; Betz, Richard |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 1 |
| Pages of publication | 267 - 268 |
| a | 4.1704 ± 0.0006 Å |
| b | 5.8242 ± 0.0008 Å |
| c | 14.929 ± 0.002 Å |
| α | 90° |
| β | 97.315 ± 0.005° |
| γ | 90° |
| Cell volume | 359.66 ± 0.09 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0364 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0926 |
| Weighted residual factors for all reflections included in the refinement | 0.0982 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274105 (current) | 2022-03-30 | cif/ Adding structures of 8104942 via cif-deposit CGI script. |
8104942.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.