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Information card for entry 1567391
Preview
| Coordinates | 1567391.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cs2 F5 I O4 W |
|---|---|
| Calculated formula | Cs2 F5 I O4 W |
| Title of publication | Wide Bandgaps and Strong SHG Responses of Hetero-Oxyfluorides by Dual-Fluorination-Directed Bandgap Engineering |
| Authors of publication | Hu, Yilei; Jiang, Xingxing; Wu, Tianhui; Xue, Yanyan; Wu, Chao; Huang, Zhipeng; Lin, Zheshuai; Xu, Jun; Humphrey, Mark G.; Zhang, Chi |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 12.1122 ± 0.0006 Å |
| b | 10.6192 ± 0.0006 Å |
| c | 7.8333 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1007.53 ± 0.09 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.0291 |
| Residual factor for significantly intense reflections | 0.0279 |
| Weighted residual factors for significantly intense reflections | 0.0599 |
| Weighted residual factors for all reflections included in the refinement | 0.0604 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276967 (current) | 2022-07-28 | cif/ Adding structures of 1567391, 1567392 via cif-deposit CGI script. |
1567391.cif |
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Users of the data should acknowledge the original authors of the
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