Information card for entry 2021761

Structure parameters

• Chemical name: 5-{3-[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-2-(pyridin-3-yl)-1,3,4-oxadiazole
• Formula: C22 H15 N5 O2
• Calculated formula: C22 H15 N5 O2
• Title of publication: Syntheses and characterization of dinuclear and tetranuclear AgI supramolecular complexes generated from symmetric and asymmetric molecular clips containing oxadiazole rings
• Authors of publication: Jin, Guoxia; Ji, Yuqi; Wang, Teng; Sun, Yanyan; Li, Yulong; Zhu, Guiying; Ma, Jianping
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 10
• a: 7.7222 ± 0.0003 Å
• b: 11.5401 ± 0.0005 Å
• c: 20.416 ± 0.0008 Å
• α: 90°
• β: 95.965 ± 0.004°
• γ: 90°
• Cell volume: 1809.52 ± 0.13 ų
• Cell temperature: 295.54 ± 0.1 K
• Ambient diffraction temperature: 295.54 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.1003
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2132
• Weighted residual factors for all reflections included in the refinement: 0.2385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes