Information card for entry 8102301

Structure parameters

• Chemical name: cis-bis(2,5-bis(3-pyridyl)-1,3,4-thiadiazole
• Formula: C48 H32 N16 S4
• Calculated formula: C48 H32 N16 S4
• Title of publication: Crystal structure of cis-2,5-bis(3-pyridyl)-1,3,4-thiadiazole, C12H8N4S
• Authors of publication: Caoyuan Niu; Aiming Ning; Yuli Dang; Xinsheng Wan; Chunhong Kou
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 3
• Pages of publication: 277
• a: 26.367 ± 0.004 Å
• b: 5.7703 ± 0.0008 Å
• c: 7.1362 ± 0.001 Å
• α: 90°
• β: 102.884 ± 0.002°
• γ: 90°
• Cell volume: 1058.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No