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Information card for entry 7128119
Preview
| Coordinates | 7128119.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H34 N4 Te2 |
|---|---|
| Calculated formula | C44 H34 N4 Te2 |
| SMILES | c1(cccc2cc3cccc(c3cc12)C#C[Te]C)C#C[Te]C.c1cnccc1/C=C/c1ccncc1.c1cc(ccn1)/C=C/c1ccncc1 |
| Title of publication | Supramolecular rectangles through directional chalcogen bonding. |
| Authors of publication | Dhaka, Arun; Jeannin, Olivier; Aubert, Emmanuel; Espinosa, Enrique; Fourmigué, Marc |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 37 |
| Pages of publication | 4560 - 4563 |
| a | 10.39 ± 0.002 Å |
| b | 11.252 ± 0.002 Å |
| c | 16.357 ± 0.004 Å |
| α | 98.128 ± 0.007° |
| β | 91.282 ± 0.007° |
| γ | 96.44 ± 0.007° |
| Cell volume | 1879.7 ± 0.7 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0867 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1113 |
| Weighted residual factors for all reflections included in the refinement | 0.1355 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7128119.cif |
| 265842 | 2021-06-05 | cif/ Updating files of 7128116, 7128117, 7128118, 7128119 Original log message: Adding full bibliography for 7128116--7128119.cif. |
7128119.cif |
| 263501 | 2021-04-01 | cif/ Adding structures of 7128116, 7128117, 7128118, 7128119 via cif-deposit CGI script. |
7128119.cif |
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Users of the data should acknowledge the original authors of the
structural data.