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Information card for entry 7120415
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| Coordinates | 7120415.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Pb2(NO3)2(H2O)F2 |
|---|---|
| Formula | F2 N2 O7 Pb2 |
| Calculated formula | F2 N2 O7 Pb2 |
| SMILES | [F]1[Pb]2[OH2][Pb]1[F]2.N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Collaborative Enhancement from Pb2+ and F- in Pb2(NO3)2(H2O)F2 Generates the Largest Second Harmonic Generation Effect Among Nitrates |
| Authors of publication | Peng, Guang; Yang, Yi; Tang, Yu-Huan; Luo, Min; Yan, Tao; Zhou, Yuqiao; Lin, Chensheng; Lin, Zheshuai; Ye, Ning |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 5.1684 ± 0.0012 Å |
| b | 15.051 ± 0.003 Å |
| c | 4.9061 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 381.64 ± 0.15 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 38 |
| Hermann-Mauguin space group symbol | A m m 2 |
| Hall space group symbol | A 2 -2 |
| Residual factor for all reflections | 0.0361 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0651 |
| Weighted residual factors for all reflections included in the refinement | 0.0662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198612 (current) | 2017-07-11 | cif/ Adding structures of 7120415 via cif-deposit CGI script. |
7120415.cif |
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Users of the data should acknowledge the original authors of the
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