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Information card for entry 7064420
Preview
| Coordinates | 7064420.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H28 Br3 Cl N4 |
|---|---|
| Calculated formula | C10 H28 Br3 Cl N4 |
| Title of publication | Mixed-halide engineering in a homopiperazinium hybrid salt: structural disorder description, electronic structure analysis, and bioactivity evaluation |
| Authors of publication | Walha, Sandra; Hjiri, Mokhtar; Ben Ahmed, Ali |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2026 |
| a | 8.234 ± 0.0016 Å |
| b | 9.7895 ± 0.0019 Å |
| c | 11.358 ± 0.002 Å |
| α | 90° |
| β | 107.528 ± 0.007° |
| γ | 90° |
| Cell volume | 873 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0557 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1365 |
| Weighted residual factors for all reflections included in the refinement | 0.1423 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306107 (current) | 2026-05-28 | cif/ Adding structures of 7064420 via cif-deposit CGI script. |
7064420.cif |
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Users of the data should acknowledge the original authors of the
structural data.