Information card for entry 2228261

Structure parameters

• Chemical name: Bis[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]methane
• Formula: C17 H12 N4 S4
• Calculated formula: C17 H12 N4 S4
• Title of publication: Bis[(5-phenyl-1,3,4-thiadiazol-2-yl)sulfanyl]methane
• Authors of publication: Wang, He-wen; Gao, Yan; Wang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3085
• a: 10.805 ± 0.002 Å
• b: 19.287 ± 0.004 Å
• c: 4.0738 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 849 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes