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Information card for entry 4135376
Preview
| Coordinates | 4135376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C H F0 Na O4 Zn |
|---|---|
| Calculated formula | C H Na O4 Zn |
| Title of publication | NaZnCO3(OH): A High-Performance Carbonate Ultraviolet Nonlinear Optical Crystal Derived from KBe2BO3F2 |
| Authors of publication | Peng, Guang; Lin, Chensheng; Ye, Ning |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| a | 3.3823 ± 0.0001 Å |
| b | 5.453 ± 0.0003 Å |
| c | 9.2505 ± 0.0004 Å |
| α | 90° |
| β | 96.88 ± 0.004° |
| γ | 90° |
| Cell volume | 169.385 ± 0.013 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0198 |
| Residual factor for significantly intense reflections | 0.0198 |
| Weighted residual factors for significantly intense reflections | 0.0501 |
| Weighted residual factors for all reflections included in the refinement | 0.0501 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 1.3405 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259252 (current) | 2020-11-26 | cif/ Adding structures of 4135376 via cif-deposit CGI script. |
4135376.cif |
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