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Information card for entry 7057375
Preview
| Coordinates | 7057375.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H18 F4 I5 P |
|---|---|
| Calculated formula | C25 H18 F4 I5 P |
| Title of publication | Halogen bonding and triiodide asymmetry in cocrystals of triphenylmethylphosphonium triiodide with organoiodines |
| Authors of publication | Kobra, Khadijatul; O’Donnell, Shaun; Ferrari, Andrew; McMillen, Colin D.; Pennington, William T. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 13 |
| Pages of publication | 10518 |
| a | 11.4326 ± 0.0012 Å |
| b | 11.7996 ± 0.0012 Å |
| c | 12.7273 ± 0.0013 Å |
| α | 112.483 ± 0.003° |
| β | 97.094 ± 0.004° |
| γ | 97.777 ± 0.003° |
| Cell volume | 1542.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0217 |
| Residual factor for significantly intense reflections | 0.0189 |
| Weighted residual factors for significantly intense reflections | 0.0446 |
| Weighted residual factors for all reflections included in the refinement | 0.0456 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.17 |
| 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. |
7057375.cif |
| 230370 | 2019-11-17 | cif/ Updating files of 7057373, 7057374, 7057375, 7057376, 7057377 Original log message: Adding full bibliography for 7057373--7057377.cif. |
7057375.cif |
| 207629 | 2018-05-02 | cif/ Adding structures of 7057373, 7057374, 7057375, 7057376, 7057377 via cif-deposit CGI script. |
7057375.cif |
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Users of the data should acknowledge the original authors of the
structural data.