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Information card for entry 7237831
Preview
| Coordinates | 7237831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H13 N3 O6 Zn |
|---|---|
| Calculated formula | C16 H13 N3 O6 Zn |
| Title of publication | Impressive second harmonic generation response in a novel phase-matchable NLO-active MOF derived from achiral precursors |
| Authors of publication | Zhang, Yu-Xiao; Li, Bing-Xuan; Lin, Hua; Ma, Zuju; Wu, Xin-Tao; Zhu, Qi-Long |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2019 |
| Journal volume | 7 |
| Journal issue | 21 |
| Pages of publication | 6217 |
| a | 4.9797 ± 0.0004 Å |
| b | 11.2729 ± 0.0011 Å |
| c | 27.335 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1534.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0599 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.0668 |
| Weighted residual factors for all reflections included in the refinement | 0.0735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238649 (current) | 2019-11-24 | cif/ Adding structures of 7237831 via cif-deposit CGI script. |
7237831.cif |
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Users of the data should acknowledge the original authors of the
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