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Information card for entry 4003377
Preview
| Coordinates | 4003377.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | F H8 N2 O3 P |
|---|---|
| Calculated formula | F H8 N2 O3 P |
| SMILES | P(=O)(F)([O-])[O-].[NH4+].[NH4+] |
| Title of publication | Expanding Frontiers of Ultraviolet Nonlinear Optical Materials with Fluorophosphates |
| Authors of publication | Zhang, Bingbing; Han, Guopeng; Wang, Ying; Chen, Xinglong; Yang, Zhihua; Pan, Shilie |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2018 |
| Journal volume | 30 |
| Journal issue | 15 |
| Pages of publication | 5397 |
| a | 7.9516 ± 0.0007 Å |
| b | 11.3364 ± 0.001 Å |
| c | 6.0351 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 544.02 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0749 |
| Residual factor for significantly intense reflections | 0.0693 |
| Weighted residual factors for significantly intense reflections | 0.1763 |
| Weighted residual factors for all reflections included in the refinement | 0.1862 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.888 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231551 (current) | 2019-11-22 | cif/ Adding structures of 4003377 via cif-deposit CGI script. |
4003377.cif |
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Users of the data should acknowledge the original authors of the
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