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Information card for entry 4004005
Preview
| Coordinates | 4004005.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H0 Bi2 Br9 N3 |
|---|---|
| Calculated formula | C21.02 Bi2 Br9 N2.98 |
| Title of publication | Ferroelastic Hybrid Bismuth Bromides with Dual Dielectric Switches |
| Authors of publication | Zhang, Zhi-Xu; Su, Chang-Yuan; Li, Jie; Song, Xian-Jiang; Fu, Da-Wei; Zhang, Yi |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| a | 10.4505 ± 0.0008 Å |
| b | 10.4505 ± 0.0008 Å |
| c | 23.2226 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2196.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 194 |
| Hermann-Mauguin space group symbol | P 63/m m c |
| Hall space group symbol | -P 6c 2c |
| Residual factor for all reflections | 0.0934 |
| Residual factor for significantly intense reflections | 0.0822 |
| Weighted residual factors for significantly intense reflections | 0.2331 |
| Weighted residual factors for all reflections included in the refinement | 0.2405 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267567 (current) | 2021-07-16 | cif/ Adding structures of 4004005 via cif-deposit CGI script. |
4004005.cif |
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