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Information card for entry 4004006
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Coordinates | 4004006.cif |
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Original paper (by DOI) | HTML |
Formula | C8 H24 Bi Br5 N2 |
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Calculated formula | C8 H24 Bi Br5 N2 |
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 | 22.5815 ± 0.0015 Å |
b | 8.7923 ± 0.0004 Å |
c | 24.089 ± 0.003 Å |
α | 90° |
β | 121.745 ± 0.006° |
γ | 90° |
Cell volume | 4067.2 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1614 |
Residual factor for significantly intense reflections | 0.1125 |
Weighted residual factors for significantly intense reflections | 0.3107 |
Weighted residual factors for all reflections included in the refinement | 0.3339 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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267568 (current) | 2021-07-16 | cif/ Adding structures of 4004006 via cif-deposit CGI script. |
4004006.cif |
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Users of the data should acknowledge the original authors of the
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