Information card for entry 7041112

Structure parameters

• Formula: C2 H6 N10 O2
• Calculated formula: C2 H6 N10 O2
• SMILES: [NH3+][NH3+].n1n([O-])c(c2n(nnn2)[O-])nn1
• Title of publication: Hydrazine 5,5'-bitetrazole-1,1'-diolate: a promising high density energetic salt with good properties.
• Authors of publication: Zhang, Zhi-Bin; Xu, Cai-Xia; Yin, Xin; Zhang, Jian-Guo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 47
• Pages of publication: 19045 - 19052
• a: 4.7498 ± 0.0009 Å
• b: 5.8928 ± 0.0012 Å
• c: 6.7042 ± 0.0013 Å
• α: 98.39 ± 0.03°
• β: 90.89 ± 0.03°
• γ: 109.46 ± 0.03°
• Cell volume: 174.62 ± 0.07 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No