Information card for entry 2227363

Structure parameters

• Common name: Bis(4,5-diphenyl-4<i>H</i>-1,2,4-triazol-3-ylsulfanyl)methane
• Chemical name: 4,4',5,5'-Tetraphenyl-3,3'-[methylidenebis(sulfanediyl)]bis(4<i>H</i>- 1,2,4-triazole)
• Formula: C29 H22 N6 S2
• Calculated formula: C29 H22 N6 S2
• Title of publication: 4,4',5,5'-Tetraphenyl-3,3'-[methylidenebis(sulfanediyl)]bis(4<i>H</i>-1,2,4-triazole)
• Authors of publication: Zhao, Bing; Liu, Zhuo; Gao, Yan; Song, Bo; Deng, Qi-gang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2814
• a: 30.449 ± 0.006 Å
• b: 8.2759 ± 0.0017 Å
• c: 9.7353 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2453.2 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes