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Information card for entry 1561367
Preview
| Coordinates | 1561367.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | B Ba O8 P2 Rb |
|---|---|
| Calculated formula | B Ba O8 P2 Rb |
| Title of publication | Syntheses of six and twelve membered borophosphate ring structure with nonlinear optical activity |
| Authors of publication | Khan, Muhammad Ali; Li, Yan-Yan; Lin, Hua; Zhang, Li-Jun; Liu, Peng-Fei; Zhao, Hua-Jun; Duan, Rui-Huan; Wang, Jin-Qiu; Chen, Ling |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2016 |
| Journal volume | 243 |
| Pages of publication | 259 - 266 |
| a | 7.281 ± 0.0018 Å |
| b | 7.281 ± 0.0018 Å |
| c | 14.33 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 759.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 122 |
| Hermann-Mauguin space group symbol | I -4 2 d |
| Hall space group symbol | I -4 2bw |
| Residual factor for all reflections | 0.0206 |
| Residual factor for significantly intense reflections | 0.0198 |
| Weighted residual factors for significantly intense reflections | 0.0499 |
| Weighted residual factors for all reflections included in the refinement | 0.0503 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.242 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263444 (current) | 2021-03-30 | cif/ Adding structures of 1561366, 1561367 via cif-deposit CGI script. |
1561367.cif |
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Users of the data should acknowledge the original authors of the
structural data.