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Information card for entry 4003882
Preview
| Coordinates | 4003882.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Br N Zn2 |
|---|---|
| Calculated formula | Br N Zn2 |
| Title of publication | Halonitrides Zn2NX (X=Cl,Br): Novel Mid-Infrared Nonlinear Optical Materials |
| Authors of publication | Zhao, Xin; Lin, Chensheng; Chen, Jindong; Luo, Min; Xu, Feng; Yang, Shunda; Shi, Shuangshuang; Li, Bingxuan; Ye, Ning |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2021 |
| Journal volume | 33 |
| Journal issue | 4 |
| Pages of publication | 1462 - 1470 |
| a | 6.222 ± 0.007 Å |
| b | 7.65 ± 0.008 Å |
| c | 6.094 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 290.1 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0319 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.066 |
| Weighted residual factors for all reflections included in the refinement | 0.0667 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262420 (current) | 2021-03-04 | cif/ Adding structures of 4003882 via cif-deposit CGI script. |
4003882.cif |
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