Information card for entry 2244128

Structure parameters

• 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 ų
• 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