Information card for entry 7058168

Structure parameters

• Chemical name: Potassium 2,5-ditetrazolyl-1,3,4-triazolate hydrate
• Formula: C4 H2 K N11 O2
• Calculated formula: C4 H2 K N11 O2
• Title of publication: Synthesis of 3,5-ditetrazolyl-1,2,4-triazole-based complexes: a strategy for developing C‒N-linked triheterocyclic energetic compounds
• Authors of publication: Wu, Le; He, Piao; Li, Zhimin; Wang, Qianyou; Yang, Junqing; Sinditskii, Valery P.; Zhang, Jian-Guo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 12
• Pages of publication: 4975
• a: 15.3171 ± 0.0015 Å
• b: 9.5994 ± 0.0009 Å
• c: 7.9409 ± 0.0008 Å
• α: 90°
• β: 108.362 ± 0.002°
• γ: 90°
• Cell volume: 1108.14 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No