Information card for entry 2231053

Structure parameters

• Chemical name: 5,5'-(Disulfanediyl)bis(1-methyl-1<i>H</i>-tetrazole)
• Formula: C4 H6 N8 S2
• Calculated formula: C4 H6 N8 S2
• SMILES: S(Sc1nnnn1C)c1nnnn1C
• Title of publication: 5,5'-(Disulfanediyl)bis(1-methyl-1<i>H</i>-tetrazole)
• Authors of publication: Cui, Ai-Yun; Liu, Jing-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2184
• a: 6.3232 ± 0.0003 Å
• b: 8.1625 ± 0.0003 Å
• c: 18.3623 ± 0.0007 Å
• α: 90°
• β: 98.906 ± 0.002°
• γ: 90°
• Cell volume: 936.31 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes