Information card for entry 2234141

Structure parameters

• Chemical name: 5,5'-(Ethane-1,2-diyl)bis(1<i>H</i>-tetrazole)
• Formula: C4 H6 N8
• Calculated formula: C4 H6 N8
• Title of publication: A new polymorph of 5,5'-(ethane-1,2-diyl)bis(1<i>H</i>-tetrazole)
• Authors of publication: Qiao, Cheng-Fang; Zhou, Chun-Sheng; Wei, Qing; Xia, Zheng-Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o989
• a: 10.951 ± 0.003 Å
• b: 6.678 ± 0.002 Å
• c: 5.0329 ± 0.0014 Å
• α: 90°
• β: 114.25 ± 0.004°
• γ: 90°
• Cell volume: 335.58 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0401
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0975
• 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