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Information card for entry 1564606
Preview
| Coordinates | 1564606.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H28 Br4 Cd N2 |
|---|---|
| Calculated formula | C18 H28 Br4 Cd N2 |
| Title of publication | Multifunctional molecular ferroelectric with Chiral feature, High Curie Temperature, Large Spontaneous Polarization and Photoluminescence: (C9H14N)2CdBr4 |
| Authors of publication | Li, Yu-Kong; Lai, Yuan Yuan; Ying, Ting-Ting; Han, Ding-Chong; Tan, Yu-Hui; Tang, Yun Zhi; Du, Peng-Kang; Zhang, Hao |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 11.2525 ± 0.0005 Å |
| b | 7.9861 ± 0.0003 Å |
| c | 13.9703 ± 0.0006 Å |
| α | 90° |
| β | 97.514 ± 0.004° |
| γ | 90° |
| Cell volume | 1244.64 ± 0.09 Å3 |
| Cell temperature | 373 K |
| Ambient diffraction temperature | 373 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0744 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.0765 |
| Weighted residual factors for all reflections included in the refinement | 0.0843 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269069 (current) | 2021-09-10 | cif/ Adding structures of 1564605, 1564606 via cif-deposit CGI script. |
1564606.cif |
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