Information card for entry 7251749

Structure parameters

• Formula: C4 H4 N8
• Calculated formula: C4 H4 N8
• Title of publication: Synthesis and structural characterization of the <i>Z</i>-isomer of 1,2-bis(tetrazol-5-yl)ethylene (H₂bte) <i>via</i> photoinduced isomerization.
• Authors of publication: Shi, Junhao; Liao, Sicheng; Huang, Shiliang; Jiang, Tianyu; Wang, Kangcai; Zhang, Wenquan
• Journal of publication: RSC advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 2724 - 2731
• a: 3.7983 ± 0.0001 Å
• b: 20.4558 ± 0.0002 Å
• c: 25.5993 ± 0.0004 Å
• α: 90°
• β: 90.164 ± 0.001°
• γ: 90°
• Cell volume: 1988.99 ± 0.06 ų
• Cell temperature: 297.6 ± 0.3 K
• Ambient diffraction temperature: 297.6 ± 0.3 K
• Number of distinct elements: 3
• 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: 0.0754
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.2073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No