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Information card for entry 7239885
Preview
| Coordinates | 7239885.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H16 Br2 Cl6 N2 Te |
|---|---|
| Calculated formula | C12 H16 Br2 Cl6 N2 Te |
| Title of publication | Chlorotellurate(iv) supramolecular associates with “trapped” Br2: features of non-covalent halogenâ‹Żhalogen interactions in crystalline phases |
| Authors of publication | Usoltsev, Andrey N.; Adonin, Sergey A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Fedin, Vladimir P. |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 11 |
| Pages of publication | 1985 - 1990 |
| a | 7.7903 ± 0.0004 Å |
| b | 8.952 ± 0.0005 Å |
| c | 17.1961 ± 0.001 Å |
| α | 100.706 ± 0.005° |
| β | 97.205 ± 0.005° |
| γ | 108.223 ± 0.005° |
| Cell volume | 1097.41 ± 0.12 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0465 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0688 |
| Weighted residual factors for all reflections included in the refinement | 0.074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257483 (current) | 2020-10-06 | cif/ Updating files of 7239884, 7239885, 7239886, 7239887 Original log message: Adding full bibliography for 7239884--7239887.cif. |
7239885.cif |
| 250267 | 2020-04-05 | cif/ Updating files of 7239884, 7239885, 7239886, 7239887 Original log message: Adding full bibliography for 7239884--7239887.cif. |
7239885.cif |
| 247929 | 2020-02-07 | cif/ Adding structures of 7239884, 7239885, 7239886, 7239887 via cif-deposit CGI script. |
7239885.cif |
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Users of the data should acknowledge the original authors of the
structural data.