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Information card for entry 7250656
Preview
| Coordinates | 7250656.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H12 Cl4 I2 O4 |
|---|---|
| Calculated formula | C20 H12 Cl4 I2 O4 |
| Title of publication | Hierarchy and cooperativity between π-type halogen bonds and aromatic carboxylic acid dimers in co-crystal formation |
| Authors of publication | Feld, Emmett H.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H. |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| Journal volume | 27 |
| Journal issue | 30 |
| Pages of publication | 5100 - 5103 |
| a | 5.4271 ± 0.0003 Å |
| b | 6.512 ± 0.0004 Å |
| c | 16.5542 ± 0.001 Å |
| α | 99.824 ± 0.002° |
| β | 94.165 ± 0.002° |
| γ | 99.031 ± 0.002° |
| Cell volume | 566.34 ± 0.06 Å3 |
| Cell temperature | 290 K |
| Ambient diffraction temperature | 290 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 | 0.0255 |
| Residual factor for significantly intense reflections | 0.0212 |
| Weighted residual factors for significantly intense reflections | 0.0462 |
| Weighted residual factors for all reflections included in the refinement | 0.0482 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301572 (current) | 2025-08-06 | cif/ Updating files of 7250656, 7250657 Original log message: Adding full bibliography for 7250656--7250657.cif. |
7250656.cif |
| 300352 | 2025-07-05 | cif/ Adding structures of 7250656, 7250657 via cif-deposit CGI script. |
7250656.cif |
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Users of the data should acknowledge the original authors of the
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