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Information card for entry 7247289
Preview
| Coordinates | 7247289.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H12 Cl4 I N |
|---|---|
| Calculated formula | C8 H12 Cl4 I N |
| 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 | 17.4476 ± 0.0006 Å |
| b | 9.9715 ± 0.0004 Å |
| c | 7.8504 ± 0.0003 Å |
| α | 90° |
| β | 102.6 ± 0.001° |
| γ | 90° |
| Cell volume | 1332.91 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.022 |
| Residual factor for significantly intense reflections | 0.0166 |
| Weighted residual factors for significantly intense reflections | 0.0351 |
| Weighted residual factors for all reflections included in the refinement | 0.0365 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| 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. |
7247289.cif |
| 285940 | 2023-09-01 | cif/ Adding structures of 7247286, 7247287, 7247288, 7247289, 7247290, 7247291, 7247292, 7247293, 7247294 via cif-deposit CGI script. |
7247289.cif |
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Users of the data should acknowledge the original authors of the
structural data.