Information card for entry 2019042

Structure parameters

• Chemical name: Tetranitratobis{μ-5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione}zinc(II)
• Formula: C28 H24 N12 O14 S2 Zn2
• Calculated formula: C28 H24 N12 O14 S2 Zn2
• SMILES: c1cc2cc[n]1[Zn]1([n]3ccc(C4=NN(CCc5cc[n]([Zn]6([n]7ccc(C8=NN(CC2)C(=S)O8)cc7)(ON(=O)=[O]6)ON(=O)=O)cc5)C(=S)O4)cc3)(ON(=[O]1)=O)ON(=O)=O
• Title of publication: Zn^II^ and Cu^II^ complexes generated from 5-(pyridin-4-yl)-3-[2-(pyridin-4-yl)ethyl]-1,3,4-oxadiazole-2(3<i>H</i>)-thione
• Authors of publication: Zhao, Hang-Ju; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: 716 - 720
• a: 7.8239 ± 0.0017 Å
• b: 11.033 ± 0.002 Å
• c: 21.677 ± 0.004 Å
• α: 90°
• β: 98.125 ± 0.004°
• γ: 90°
• Cell volume: 1852.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0793
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes