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Information card for entry 7058312
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| Coordinates | 7058312.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | diphenyl ditelluride 1,4-diiodotetrafluorobenzene |
|---|---|
| Formula | C15 H10 F2 I Te2 |
| Calculated formula | C15 H10 F2 I Te2 |
| Title of publication | Energy framework approach to the supramolecular reactions: interplay of the secondary bonding interaction in Ph2E2 (E = Se, Te)/p-I-C6F4-I co-crystals |
| Authors of publication | Torubaev, Yury V.; Rai, Dhirendra K.; Skabitsky, Ivan V.; Pakhira, Srimanta; Dmitrienko, Artem |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| Journal volume | 43 |
| Journal issue | 21 |
| Pages of publication | 7941 |
| a | 10.1451 ± 0.0006 Å |
| b | 6.1237 ± 0.0003 Å |
| c | 26.0712 ± 0.0015 Å |
| α | 90° |
| β | 91.241 ± 0.001° |
| γ | 90° |
| Cell volume | 1619.31 ± 0.16 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 | 0.045 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0502 |
| Weighted residual factors for all reflections included in the refinement | 0.0546 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7058312.cif |
| 224930 | 2019-11-08 | cif/ Updating files of 7058311, 7058312 Original log message: Adding full bibliography for 7058311--7058312.cif. |
7058312.cif |
| 214710 | 2019-04-20 | cif/ Adding structures of 7058311, 7058312 via cif-deposit CGI script. |
7058312.cif |
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Users of the data should acknowledge the original authors of the
structural data.