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Information card for entry 7233601
Preview
| Coordinates | 7233601.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H12 Cd Hg N4 O2 S6 |
|---|---|
| Calculated formula | C8 H12 Cd Hg N4 O2 S6 |
| Title of publication | Characterization and strong piezoelectric response of an organometallic nonlinear optical crystal: CdHg(SCN)4(C2H6SO)2 |
| Authors of publication | Xitao Liu; Xinqiang Wang; Xin Yin; Shaojun Zhang; Lei Wang; Luyi Zhu; Guanghui Zhang; Dong Xu |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 723 - 730 |
| a | 8.5286 ± 0.0001 Å |
| b | 8.5521 ± 0.0002 Å |
| c | 28.2714 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2062.04 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0563 |
| Residual factor for significantly intense reflections | 0.0305 |
| Weighted residual factors for significantly intense reflections | 0.0495 |
| Weighted residual factors for all reflections included in the refinement | 0.0553 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.876 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217909 (current) | 2019-09-02 | cif/ Adding structures of 7233601 via cif-deposit CGI script. |
7233601.cif |
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Users of the data should acknowledge the original authors of the
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