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Information card for entry 2011676
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| Coordinates | 2011676.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | mercury(II) complex of benzothiazole |
|---|---|
| Chemical name | Catena-(2-methyl-benzo-1-thia-3-azolium-μ-dichloromercurate(II)) |
| Formula | C8 H7 Cl2 Hg N S |
| Calculated formula | C8 H7 Cl2 Hg N S |
| SMILES | [Hg](Cl)(Cl)[n]1c(sc2c1cccc2)C |
| Title of publication | <i>catena</i>-Poly[[(2-methyl-1,3-benzothiazole-<i>N</i>)mercury(II)]-di-μ-chloro] |
| Authors of publication | Popović, Zora; Mrvoš-Sermek, Draginja; Soldin, Željka; Tralić-Kulenović, Vesna |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 1 |
| Pages of publication | 20 - 21 |
| a | 7.346 ± 0.001 Å |
| b | 9.6957 ± 0.0006 Å |
| c | 14.915 ± 0.001 Å |
| α | 90° |
| β | 94.69 ± 0.03° |
| γ | 90° |
| Cell volume | 1058.76 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0797 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for all reflections included in the refinement | 0.1345 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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