Information card for entry 7227950

Structure parameters

• Formula: C2 H6 N8 O4
• Calculated formula: C2 H6 N8 O4
• SMILES: c1(nnnn1O)c1n(nnn1)O.O.O
• Title of publication: The novel compound dimethylamine-5,5′-bistetrazole-1,1′-diolate: crystal structure, thermal investigation, safety evaluation and theoretical studies
• Authors of publication: Yu, Yuehai; Chen, Shusen; Li, Xin; Jin, Shaohua; Li, Lijie; Zhang, Guangyuan; Ma, Xiao; Shu, Qinghai
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 30
• Pages of publication: 18523
• a: 7.752 ± 0.006 Å
• b: 6.391 ± 0.005 Å
• c: 8.702 ± 0.008 Å
• α: 90°
• β: 116.05 ± 0.04°
• γ: 90°
• Cell volume: 387.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1079
• Residual factor for significantly intense reflections: 0.1036
• Weighted residual factors for significantly intense reflections: 0.3082
• Weighted residual factors for all reflections included in the refinement: 0.3191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.505
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No