Information card for entry 2209534

Structure parameters

• Chemical name: 2,5-Di-4-pyridinio-1,3,4-oxadiazole bis(perchlorate) monohydrate
• Formula: C12 H12 Cl2 N4 O10
• Calculated formula: C12 H12 Cl2 N4 O10
• Title of publication: 2,5-Di-4-pyridinio-1,3,4-oxadiazole bis(perchlorate) monohydrate
• Authors of publication: Wang, Yong-Tao; Tang, Gui-Mei; Qin, Da-Wei; Duan, Hong-Dong; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3094 - o3095
• a: 5.4662 ± 0.0005 Å
• b: 19.448 ± 0.002 Å
• c: 16.383 ± 0.001 Å
• α: 90°
• β: 95.609 ± 0.001°
• γ: 90°
• Cell volume: 1733.3 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.08
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes