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Information card for entry 2010545
Preview
| Coordinates | 2010545.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | bis[chloro(1,3-imidazolium-2-thiolato-S)]mercury(II) |
|---|---|
| Formula | C6 H8 Cl2 Hg N4 S2 |
| Calculated formula | C6 H8 Cl2 Hg N4 S2 |
| SMILES | [Hg](Cl)(Cl)(Sc1[nH]cc[nH]1)Sc1[nH]cc[nH]1 |
| Title of publication | A 1:2 complex of mercury(II) chloride with 1,3-imidazole-2-thione |
| Authors of publication | Pavlović, Gordana; Popović, Zora; Soldin, Željka; Matković-Čalogović, Dubravka |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 1 |
| Pages of publication | 61 - 63 |
| a | 7.5296 ± 0.0011 Å |
| b | 13.7209 ± 0.0019 Å |
| c | 11.7587 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1214.8 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.079 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for all reflections included in the refinement | 0.064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.897 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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