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Information card for entry 4132588
Preview
| Coordinates | 4132588.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H30 Br7 Mn2 N3 |
|---|---|
| Calculated formula | C9 H30 Br7 Mn2 N3 |
| Title of publication | Discovery of an Antiperovskite Ferroelectric in [(CH<sub>3</sub>)<sub>3</sub>NH]<sub>3</sub>(MnBr<sub>3</sub>)(MnBr<sub>4</sub>). |
| Authors of publication | Wei, Zhenhong; Liao, Wei-Qiang; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Cai, Hu; Xiong, Ren-Gen |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 26 |
| Pages of publication | 8110 - 8113 |
| a | 14.9319 ± 0.0004 Å |
| b | 14.9319 ± 0.0004 Å |
| c | 6.7338 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1300.23 ± 0.06 Å3 |
| Cell temperature | 373 ± 2 K |
| Ambient diffraction temperature | 373 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 186 |
| Hermann-Mauguin space group symbol | P 63 m c |
| Hall space group symbol | P 6c -2c |
| Residual factor for all reflections | 0.0536 |
| Residual factor for significantly intense reflections | 0.0347 |
| Weighted residual factors for significantly intense reflections | 0.0586 |
| Weighted residual factors for all reflections included in the refinement | 0.0625 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242532 (current) | 2019-11-26 | cif/ Adding structures of 4132588 via cif-deposit CGI script. |
4132588.cif |
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Users of the data should acknowledge the original authors of the
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