Information card for entry 7064363
| Formula |
C18 H36 Cl0.32 I6.68 N3 Pt |
| Calculated formula |
C18 H36 Cl0.33 I6.67 N3 Pt |
| Title of publication |
A Hybrid Metal-Halide Antiperovskite Semiconductor Ferroelectric |
| Authors of publication |
Zhou, Wen; Shi, Chao; Xu, Liang; Wang, Ze-Jie; Wang, Na; Liao, Rong-Meng; An, Zhen; Heng-Yun, Ye; Miao, Le-Ping |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2026 |
| a |
9.33719 ± 0.00018 Å |
| b |
9.33719 ± 0.00018 Å |
| c |
37.1328 ± 0.0012 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
3237.35 ± 0.14 Å3 |
| Cell temperature |
413 ± 2 K |
| Ambient diffraction temperature |
413 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
76 |
| Hermann-Mauguin space group symbol |
P 41 |
| Hall space group symbol |
P 4w |
| Residual factor for all reflections |
0.092 |
| Residual factor for significantly intense reflections |
0.0674 |
| Weighted residual factors for significantly intense reflections |
0.2035 |
| Weighted residual factors for all reflections included in the refinement |
0.2157 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.083 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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