Information card for entry 2019168

Structure parameters

• Chemical name: <i>catena</i>-Poly[[dichloridozinc(II)]-μ-2,5-bis[4-methyl-3-(pyridin-3-yl)phenyl]-1,3,4-oxadiazole]
• Formula: C26 H20 Cl2 N4 O Zn
• Calculated formula: C26 H20 Cl2 N4 O Zn
• SMILES: [Zn](Cl)(Cl)([n]1cccc(c2c(ccc(c3nnc(c4ccc(c(c5cccnc5)c4)C)o3)c2)C)c1)[n]1cccc(c1)c1c(C)ccc(c1)c1nnc(c2ccc(C)c(c2)c2ccc[n]([Zn](Cl)Cl)c2)o1
• Title of publication: 2,5-Bis[4-methyl-3-(pyridin-3-yl)phenyl]-1,3,4-oxadiazole and its one-dimensional polymeric complex with ZnCl~2~
• Authors of publication: Hou, Shan; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: 1108 - 1111
• a: 17.779 ± 0.003 Å
• b: 7.3406 ± 0.0014 Å
• c: 18.944 ± 0.004 Å
• α: 90°
• β: 102.942 ± 0.002°
• γ: 90°
• Cell volume: 2409.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0631
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No