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Information card for entry 4127504
Preview
| Coordinates | 4127504.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H33 Cd2 Cl7 F3 N3 |
|---|---|
| Calculated formula | C12 H33 Cd2 Cl7 F3 N3 |
| Title of publication | Fluoridation Achieved Antiperovskite Molecular Ferroelectric in [(CH<sub>3</sub>)<sub>2</sub>(F-CH<sub>2</sub>CH<sub>2</sub>)NH]<sub>3</sub>(CdCl<sub>3</sub>)(CdCl<sub>4</sub>). |
| Authors of publication | Wang, Zhong-Xia; Zhang, Yi; Tang, Yuan-Yuan; Li, Peng-Fei; Xiong, Ren-Gen |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 10 |
| Pages of publication | 4372 - 4378 |
| a | 15.2801 ± 0.0003 Å |
| b | 15.2801 ± 0.0003 Å |
| c | 6.7272 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1360.25 ± 0.06 Å3 |
| Cell temperature | 373 ± 2 K |
| Ambient diffraction temperature | 373 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for all reflections | 0.1427 |
| Residual factor for significantly intense reflections | 0.139 |
| Weighted residual factors for significantly intense reflections | 0.4192 |
| Weighted residual factors for all reflections included in the refinement | 0.4201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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