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Information card for entry 2243198
Preview
| Coordinates | 2243198.cif |
|---|---|
| Structure factors | 2243198.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2,2'-Bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(2-methoxyethyl xanthato-κ<i>S</i>)zinc(II) |
|---|---|
| Formula | C18 H22 N2 O4 S4 Zn |
| Calculated formula | C18 H22 N2 O4 S4 Zn |
| SMILES | C(=S)(OCCOC)S[Zn]1([n]2ccccc2c2cccc[n]12)SC(=S)OCCOC |
| Title of publication | Crystal structure and Hirshfeld surface analysis of a zinc xanthate complex containing the 2,2'-bipyridine ligand |
| Authors of publication | Qadir, Adnan M.; Kansiz, Sevgi; Rosair, Georgina M.; Dege, Necmi; Safyanova, Inna S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 12 |
| Pages of publication | 1857 - 1860 |
| a | 22.869 ± 0.004 Å |
| b | 8.3212 ± 0.0012 Å |
| c | 12.5627 ± 0.0019 Å |
| α | 90° |
| β | 115.348 ± 0.004° |
| γ | 90° |
| Cell volume | 2160.5 ± 0.6 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0934 |
| Residual factor for significantly intense reflections | 0.0865 |
| Weighted residual factors for significantly intense reflections | 0.1525 |
| Weighted residual factors for all reflections included in the refinement | 0.1547 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.429 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227696 (current) | 2019-11-13 | cif/ hkl/ Adding structures of 2243198 via cif-deposit CGI script. |
2243198.cif 2243198.hkl |
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Users of the data should acknowledge the original authors of the
structural data.