Information card for entry 4119050

Structure parameters

• Common name: hydrazinium 1,3-di(nitroimide)-1,2,3-triazolate
• Chemical name: hydrazinium 1,3-di(nitroimide)-1,2,3-triazolate
• Formula: C2 H7 N9 O4
• Calculated formula: C2 H7 N9 O4
• SMILES: O=N([O-])=NN1N=N(=NN(=O)=O)C=C1.N[NH3+]
• Title of publication: 1,3-Bis(nitroimido)-1,2,3-triazolate Anion, the N-Nitroimide Moiety, and the Strategy of Alternating Positive and Negative Charges in the Design of Energetic Materials
• Authors of publication: Thomas M. Klapötke; Christian Petermayer; Davin G. Piercey; Jörg Stierstorfer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 20827 - 20836
• a: 3.6154 ± 0.0004 Å
• b: 23.16 ± 0.002 Å
• c: 10.0335 ± 0.0009 Å
• α: 90°
• β: 91.855 ± 0.011°
• γ: 90°
• Cell volume: 839.69 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• 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: 0.1029
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No