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Information card for entry 7232157
Preview
| Coordinates | 7232157.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C9 H3 Cl3 I2 N2 |
|---|---|
| Calculated formula | C9 H3 Cl3 I2 N2 |
| Title of publication | Organic molecular tessellations and intertwined double helices assembled by halogen bonding |
| Authors of publication | Ng, Chun-Fai; Chow, Hak-Fun; Mak, Thomas C. W. |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 7 |
| Pages of publication | 1130 |
| a | 4.338 ± 0.001 Å |
| b | 18.327 ± 0.004 Å |
| c | 18.018 ± 0.004 Å |
| α | 90° |
| β | 91.705 ± 0.007° |
| γ | 90° |
| Cell volume | 1431.8 ± 0.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.1155 |
| Residual factor for significantly intense reflections | 0.1024 |
| Weighted residual factors for significantly intense reflections | 0.2611 |
| Weighted residual factors for all reflections included in the refinement | 0.2683 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.294 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232157.cif |
| 223654 | 2019-11-07 | cif/ Updating files of 7232153, 7232154, 7232155, 7232156, 7232157 Original log message: Adding full bibliography for 7232153--7232157.cif. |
7232157.cif |
| 213031 | 2019-01-13 | cif/ Adding structures of 7232153, 7232154, 7232155, 7232156, 7232157 via cif-deposit CGI script. |
7232157.cif |
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Users of the data should acknowledge the original authors of the
structural data.