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Information card for entry 4134529
Preview
| Coordinates | 4134529.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Cs F O7 P2 Si |
|---|---|
| Calculated formula | Cs F O7 P2 Si |
| Title of publication | Designing a Deep-UV Nonlinear Optical Fluorooxosilicophosphate. |
| Authors of publication | Ding, Qingran; Liu, Xiaomeng; Zhao, Sangen; Wang, Yusong; Li, Yanqiang; Li, Lina; Liu, Shuai; Lin, Zheshuai; Hong, Maochun; Luo, Junhua |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 4.5525 ± 0.0009 Å |
| b | 7.9999 ± 0.0016 Å |
| c | 9.5565 ± 0.0019 Å |
| α | 90° |
| β | 99.77 ± 0.03° |
| γ | 90° |
| Cell volume | 343 ± 0.12 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.065 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1073 |
| Weighted residual factors for all reflections included in the refinement | 0.1163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249663 (current) | 2020-03-25 | cif/ Adding structures of 4134529 via cif-deposit CGI script. |
4134529.cif |
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Users of the data should acknowledge the original authors of the
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