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Information card for entry 2022122
Preview
| Coordinates | 2022122.cif |
|---|---|
| Structure factors | 2022122.hkl |
| Original IUCr paper | HTML |
| Chemical name | {Diiodo[(phenyltellanyl)selanyl]-λ^4^-tellanyl}benzene |
|---|---|
| Formula | C12 H10 I2 Se Te2 |
| Calculated formula | C12 H10 I2 Se Te2 |
| SMILES | [Te](I)(I)([Se][Te]c1ccccc1)c1ccccc1 |
| Title of publication | Chimeric supramolecular synthons in Ph~2~Te~2~(I~2~)Se |
| Authors of publication | Torubaev, Yury V. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 6 |
| a | 12.98 ± 0.003 Å |
| b | 16.037 ± 0.003 Å |
| c | 7.8571 ± 0.0016 Å |
| α | 90° |
| β | 92.406 ± 0.003° |
| γ | 90° |
| Cell volume | 1634.1 ± 0.6 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| 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 | 0.093 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.0684 |
| Weighted residual factors for all reflections included in the refinement | 0.0809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252171 (current) | 2020-05-19 | cif/ hkl/ Adding structures of 2022122 via cif-deposit CGI script. |
2022122.cif 2022122.hkl |
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