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Information card for entry 7239875
Preview
| Coordinates | 7239875.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C6 H10 Br2 N2 |
|---|---|
| Calculated formula | C6 H10 Br2 N2 |
| Title of publication | Synthesis, intermolecular interactions and biological activities of two new organic–inorganic hybrids C6H10N2,2Br and C6H10N2,2Cl·H2O |
| Authors of publication | Hamdi, Intissar; Bkhairia, Intidhar; Roodt, Andreas; Roisnel, Thierry; Nasri, Moncef; Naïli, Houcine |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 10 |
| Pages of publication | 5864 - 5873 |
| a | 6.656 ± 0.0009 Å |
| b | 7.7563 ± 0.001 Å |
| c | 9.1524 ± 0.0012 Å |
| α | 76.32 ± 0.004° |
| β | 80.652 ± 0.004° |
| γ | 82.187 ± 0.005° |
| Cell volume | 450.65 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0224 |
| Residual factor for significantly intense reflections | 0.0204 |
| Weighted residual factors for significantly intense reflections | 0.0506 |
| Weighted residual factors for all reflections included in the refinement | 0.0515 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| 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. |
7239875.cif |
| 257970 | 2020-10-06 | cif/ Updating files of 7239874, 7239875 Original log message: Adding full bibliography for 7239874--7239875.cif. |
7239875.cif |
| 247559 | 2020-02-04 | cif/ Adding structures of 7239874, 7239875 via cif-deposit CGI script. |
7239875.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.