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Information card for entry 4003383
Preview
| Coordinates | 4003383.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | F H6 N Na O4 P |
|---|---|
| Calculated formula | F H6 N Na O4 P |
| SMILES | [NH4+].O=P([O-])([O-])F.[Na+].O |
| Title of publication | Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials |
| Authors of publication | Xiong, Lin; Chen, Jie; Lu, Jing; Pan, Chun-Ya; Wu, Li-Ming |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2018 |
| Journal volume | 30 |
| Journal issue | 21 |
| Pages of publication | 7823 |
| a | 4.9431 ± 0.0004 Å |
| b | 9.02 ± 0.0007 Å |
| c | 6.0536 ± 0.0005 Å |
| α | 90° |
| β | 90.797 ± 0.003° |
| γ | 90° |
| Cell volume | 269.88 ± 0.04 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0229 |
| Residual factor for significantly intense reflections | 0.0222 |
| Weighted residual factors for significantly intense reflections | 0.0571 |
| Weighted residual factors for all reflections included in the refinement | 0.0574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.294 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231557 (current) | 2019-11-22 | cif/ Adding structures of 4003383 via cif-deposit CGI script. |
4003383.cif |
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Users of the data should acknowledge the original authors of the
structural data.