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Information card for entry 7241157
Preview
| Coordinates | 7241157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1,4-diiodo-tetrafluorobenzene acetic acid solvate |
|---|---|
| Formula | C10 H8 F4 I2 O4 |
| Calculated formula | C10 H8 F4 I2 O4 |
| Title of publication | New Supramolecular Heterosynthon [C-I∙∙∙O=C(carboxylate)] at Work: Engineering of the Copper Acetates Cocrystals. |
| Authors of publication | Torubaev, Yury; Skabitskiy, Ivan V. |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 15.1477 ± 0.0005 Å |
| b | 4.3981 ± 0.0002 Å |
| c | 11.08 ± 0.0004 Å |
| α | 90° |
| β | 97.422 ± 0.001° |
| γ | 90° |
| Cell volume | 731.98 ± 0.05 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0264 |
| Residual factor for significantly intense reflections | 0.0221 |
| Weighted residual factors for significantly intense reflections | 0.0357 |
| Weighted residual factors for all reflections included in the refinement | 0.0367 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241157.cif |
| 255789 | 2020-09-02 | cif/ Adding structures of 7241155, 7241156, 7241157, 7241158 via cif-deposit CGI script. |
7241157.cif |
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Users of the data should acknowledge the original authors of the
structural data.