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Information card for entry 7250392
Preview
| Coordinates | 7250392.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H30 Br6 N2 Zn |
|---|---|
| Calculated formula | C12 H30 Br6 N2 Zn |
| Title of publication | Halogen-regulating synthesis of a novel semiconductor hybrid material [(CH3)3N(CH2)3Br]2ZnBr4 with high-temperature phase transition |
| Authors of publication | Rebhi, Yosra; Dakhlaoui, Imen; Karoui, Karim; Hajlaoui, Fadhel; Drissi, Nidhal; Zaghrioui, Mustapha; Autret, Cecile; Audebrand, Nathalie; Dorcet, Vincent; Jomni, Fethi |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2025 |
| a | 23.572 ± 0.003 Å |
| b | 9.4987 ± 0.001 Å |
| c | 15.8731 ± 0.0016 Å |
| α | 90° |
| β | 91.44 ± 0.004° |
| γ | 90° |
| Cell volume | 3552.9 ± 0.7 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.1077 |
| Residual factor for significantly intense reflections | 0.0611 |
| Weighted residual factors for significantly intense reflections | 0.1212 |
| Weighted residual factors for all reflections included in the refinement | 0.1359 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299643 (current) | 2025-05-14 | cif/ Adding structures of 7250392 via cif-deposit CGI script. |
7250392.cif |
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