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Information card for entry 7249378
Preview
| Coordinates | 7249378.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | alpha-(NIPht)2(p-bipy) |
|---|---|
| Chemical name | Bis(N(iodophtalimide)(4,4'-bipyridine), alpha phase |
| Formula | C26 H16 I2 N4 O4 |
| Calculated formula | C26 H16 I2 N4 O4 |
| Title of publication | N-Iodophthalimide as a halogen bond donor, a comparison with N-iodosuccinimide and N-iodosaccharin |
| Authors of publication | Jeon, Ie-Rang; Jeannin, Olivier; Robert, Antoine; Barrière, Frédéric; Fourmigué, Marc |
| Journal of publication | CrystEngComm |
| Year of publication | 2024 |
| Journal volume | 26 |
| Journal issue | 42 |
| Pages of publication | 6075 - 6081 |
| a | 4.8622 ± 0.0003 Å |
| b | 33.38 ± 0.003 Å |
| c | 8.0329 ± 0.0005 Å |
| α | 90° |
| β | 104.989 ± 0.003° |
| γ | 90° |
| Cell volume | 1259.38 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0669 |
| Residual factor for significantly intense reflections | 0.0447 |
| Weighted residual factors for significantly intense reflections | 0.0777 |
| Weighted residual factors for all reflections included in the refinement | 0.0838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| 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 |
|---|---|---|---|
| 296459 (current) | 2024-12-06 | cif/ Updating files of 7249377, 7249378, 7249379, 7249380, 7249381, 7249382, 7249383, 7249384, 7249385, 7249386 Original log message: Adding full bibliography for 7249377--7249386.cif. |
7249378.cif |
| 294892 | 2024-09-26 | cif/ Adding structures of 7249377, 7249378, 7249379, 7249380, 7249381, 7249382, 7249383, 7249384, 7249385, 7249386 via cif-deposit CGI script. |
7249378.cif |
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Users of the data should acknowledge the original authors of the
structural data.