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Information card for entry 2244128
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| Coordinates | 2244128.cif |
|---|---|
| Structure factors | 2244128.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[zinc(II)-bis(μ~2~-5-phenyl-1,3,4-oxadiazole-2-thiolato)-κ^2^<i>N</i>^3^:<i>S</i>;κ^2^<i>S</i>: <i>N</i>^3^] |
|---|---|
| Formula | C16 H10 N4 O2 S2 Zn |
| Calculated formula | C16 H10 N4 O2 S2 Zn |
| SMILES | [Zn]1(Sc2nnc(o2)c2ccccc2)([n]2nc(oc2S[Zn][n]2nc(oc2S1)c1ccccc1)c1ccccc1)[n]1nc(oc1[S-])c1ccccc1 |
| Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of a zinc(II) coordination polymer of 5-phenyl-1,3,4-oxadiazole-2-thiolate |
| Authors of publication | Pirimova, Mehribon; Torambetov, Batirbay; Kadirova, Shakhnoza; Ziyaev, Abdukhakim; Gonnade, Rajesh G.; Ashurov, Jamshid |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 8 |
| a | 20.4223 ± 0.0003 Å |
| b | 11.326 ± 0.0002 Å |
| c | 7.4019 ± 0.0001 Å |
| α | 90° |
| β | 98.31 ± 0.001° |
| γ | 90° |
| Cell volume | 1694.11 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0267 |
| Residual factor for significantly intense reflections | 0.0256 |
| Weighted residual factors for significantly intense reflections | 0.072 |
| Weighted residual factors for all reflections included in the refinement | 0.0728 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276898 (current) | 2022-07-23 | cif/ hkl/ Adding structures of 2244128 via cif-deposit CGI script. |
2244128.cif 2244128.hkl |
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