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Information card for entry 2312390
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| Coordinates | 2312390.cif |
|---|---|
| Structure factors | 2312390.hkl |
| Original IUCr paper | HTML |
| Common name | 1,4-Diiodoperchlorobenzene–naphthalene (1/1) |
|---|---|
| Chemical name | 1,2,4,5-Tetrachloro-3,6-diiodobenzene–naphthalene (1/1) |
| Formula | C16 H8 Cl4 I2 |
| Calculated formula | C16 H8 Cl4 I2 |
| Title of publication | Co-crystal sustained by π-type halogen-bonding inter-actions between 1,4-di-iodo-perchloro-benzene and naphthalene. |
| Authors of publication | Bosch, Eric; Reinheimer, Eric W.; Unruh, Daniel K.; Groeneman, Ryan H. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 10 |
| Pages of publication | 958 - 961 |
| a | 5.483 ± 0.0007 Å |
| b | 6.4533 ± 0.0011 Å |
| c | 12.171 ± 0.002 Å |
| α | 87.274 ± 0.005° |
| β | 85.912 ± 0.005° |
| γ | 82.629 ± 0.009° |
| Cell volume | 425.69 ± 0.11 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0172 |
| Residual factor for significantly intense reflections | 0.0167 |
| Weighted residual factors for significantly intense reflections | 0.0376 |
| Weighted residual factors for all reflections included in the refinement | 0.0379 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289233 (current) | 2024-01-31 | cif/ hkl/ Adding structures of 2312390 via cif-deposit CGI script. |
2312390.cif 2312390.hkl |
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Users of the data should acknowledge the original authors of the
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