Information card for entry 2229774

Structure parameters

• Common name: Bis(1-methyl-1H-tetrazol-5-ylsulfanyl)methane
• Chemical name: Bis[(1-methyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]methane
• Formula: C5 H8 N8 S2
• Calculated formula: C5 H8 N8 S2
• Title of publication: Bis[(1-methyl-1<i>H</i>-tetrazol-5-yl)sulfanyl]methane
• Authors of publication: Wei, Wei; Xia, Zheng-qiang; Chen, San-ping; Gao, Sheng-li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o999
• a: 6.415 ± 0.003 Å
• b: 7.314 ± 0.003 Å
• c: 22.204 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1041.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1244
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes