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Information card for entry 7717759
Preview
| Coordinates | 7717759.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H8 N2 O4 Zn |
|---|---|
| Calculated formula | C12 H8 N2 O4 Zn |
| Title of publication | Enhanced Second Harmonic Generation in a Fdd2 polymorph of C12H8N2O4Zn for UV Nonlinear Optical Applications |
| Authors of publication | Gou, Jie; Yang, Can; Wang, YunJie; Zhu, Yaolong; Zhu, Qingwen; Su, Xin; Wu, Qi |
| Journal of publication | Dalton Transactions |
| Year of publication | 2025 |
| a | 12.505 ± 0.004 Å |
| b | 20.229 ± 0.009 Å |
| c | 9.279 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2347.2 ± 1.6 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.0559 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297151 (current) | 2025-01-07 | cif/ Adding structures of 7717759 via cif-deposit CGI script. |
7717759.cif |
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