Information card for entry 2211198

Structure parameters

• Chemical name: 2,2'-(1,4-Butanediyldithio)bis(1,3,4-thiadiazole)
• Formula: C8 H10 N4 S4
• Calculated formula: C8 H10 N4 S4
• Title of publication: 2,2'-(1,4-Butanediyldithio)bis(1,3,4-thiadiazole)
• Authors of publication: Lu Wang; Jun Zhang; Bao-Xian Ye; Pu-Zhou Hu; Bang-Tun Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4844 - o4846
• a: 17.333 ± 0.003 Å
• b: 6.9652 ± 0.0014 Å
• c: 5.355 ± 0.001 Å
• α: 90°
• β: 107.926 ± 0.003°
• γ: 90°
• Cell volume: 615.1 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes