Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7247288
Preview
| Coordinates | 7247288.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H14 Cl5 I N2 |
|---|---|
| Calculated formula | C12 H14 Cl5 I N2 |
| Title of publication | Halogen bonding in chloroiodates(iii) |
| Authors of publication | Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 37 |
| Pages of publication | 5233 - 5237 |
| a | 7.4887 ± 0.0005 Å |
| b | 7.6756 ± 0.0005 Å |
| c | 8.0494 ± 0.0005 Å |
| α | 93.199 ± 0.002° |
| β | 110.363 ± 0.002° |
| γ | 95.058 ± 0.003° |
| Cell volume | 430.22 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 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 | 0.0293 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0619 |
| Weighted residual factors for all reflections included in the refinement | 0.0625 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286724 (current) | 2023-10-06 | cif/ Updating files of 7247286, 7247287, 7247288, 7247289, 7247290, 7247291, 7247292, 7247293, 7247294 Original log message: Adding full bibliography for 7247286--7247294.cif. |
7247288.cif |
| 285940 | 2023-09-01 | cif/ Adding structures of 7247286, 7247287, 7247288, 7247289, 7247290, 7247291, 7247292, 7247293, 7247294 via cif-deposit CGI script. |
7247288.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.