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Information card for entry 7130869
Preview
| Coordinates | 7130869.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B2 Be2 O6 Pb |
|---|---|
| Calculated formula | B2 Be2 O6 Pb |
| Title of publication | PbBe2B2O6: An Excellent Ultraviolet Nonlinear-Optical Crystal with Unprecedented π-π Interacting BeBO5 Group |
| Authors of publication | Chen, Yi-Gang; Jiang, Xingxing; Yang, Yuanyu; Dai, Zhe; Lin, Zheshuai; Zhang, Xian-Ming |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 10.737 ± 0.002 Å |
| b | 4.7501 ± 0.0011 Å |
| c | 4.5368 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 231.39 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 31 |
| Hermann-Mauguin space group symbol | P m n 21 |
| Hall space group symbol | P 2ac -2 |
| Residual factor for all reflections | 0.0173 |
| Residual factor for significantly intense reflections | 0.0173 |
| Weighted residual factors for significantly intense reflections | 0.0425 |
| Weighted residual factors for all reflections included in the refinement | 0.0425 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278592 (current) | 2022-10-15 | cif/ Adding structures of 7130869 via cif-deposit CGI script. |
7130869.cif |
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