Information card for entry 2209126

Structure parameters

• Chemical name: 5,5'-Pyridine-2,6-diylbis[4-ethyl-2,4-dihydro-1,2,4-triazole-3(2H)-thione]
• Formula: C13 H15 N7 S2
• Calculated formula: C13 H15 N7 S2
• Title of publication: 5,5'-Pyridine-2,6-diylbis[4-ethyl-2,4-dihydro-1,2,4-triazole-3(2<i>H</i>)-thione]
• Authors of publication: Demir, Sibel; Dinçer, Muharrem; Çetin, Ahmet; Dayan, Osman; Cansız, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2198 - o2199
• a: 6.733 ± 0.0006 Å
• b: 18.4906 ± 0.0013 Å
• c: 12.3576 ± 0.0012 Å
• α: 90°
• β: 100.162 ± 0.008°
• γ: 90°
• Cell volume: 1514.4 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0908
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes