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Information card for entry 2022630
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| Coordinates | 2022630.cif |
|---|---|
| Structure factors | 2022630.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(<i>N</i>,<i>N</i>-diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')(3-hydroxypyridine-κ<i>N</i>)zinc |
|---|---|
| Formula | C15 H25 N3 O S4 Zn |
| Calculated formula | C15 H25 N3 O S4 Zn |
| SMILES | [Zn]12(SC(=[S]1)N(CC)CC)([S]=C(S2)N(CC)CC)[n]1cc(O)ccc1 |
| Title of publication | Bis(N,N-diethyldithiocarbamato-κ2S,S')(3-hydroxypyridine-κN)zinc and bis[N-(2-hydroxyethyl)-N-methyldithiocarbamato-κ2S,S'](3-hydroxypyridine-κN)zinc: crystal structures and Hirshfeld surface analysis |
| Authors of publication | Jotani, Mukesh M.; Arman, Hadi D.; Poplaukhin, Pavel; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica, Section E: Crystallographic Communications |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 12 |
| Pages of publication | 1700 - 1709 |
| a | 10.032 ± 0.002 Å |
| b | 31.955 ± 0.007 Å |
| c | 13.233 ± 0.003 Å |
| α | 90° |
| β | 105.92 ± 0.002° |
| γ | 90° |
| Cell volume | 4079.4 ± 1.5 Å3 |
| Cell temperature | 98 ± 2 K |
| Ambient diffraction temperature | 98 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0459 |
| Residual factor for significantly intense reflections | 0.0411 |
| Weighted residual factors for significantly intense reflections | 0.1021 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276683 (current) | 2022-07-06 | cif/ hkl/ Adding structures of 2022630 via cif-deposit CGI script. |
2022630.cif 2022630.hkl |
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Users of the data should acknowledge the original authors of the
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