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Information card for entry 4004007
Preview
| Coordinates | 4004007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 Bi2 Br9 N3 |
|---|---|
| Calculated formula | C18 Bi2 Br9 N3 |
| 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 | 22.4702 ± 0.0009 Å |
| b | 18.4743 ± 0.0008 Å |
| c | 19.2456 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7989.3 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1199 |
| Residual factor for significantly intense reflections | 0.07 |
| Weighted residual factors for significantly intense reflections | 0.1689 |
| Weighted residual factors for all reflections included in the refinement | 0.1877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267569 (current) | 2021-07-16 | cif/ Adding structures of 4004007 via cif-deposit CGI script. |
4004007.cif |
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Users of the data should acknowledge the original authors of the
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