Information card for entry 7034471

Structure parameters

• Common name: [N2H5][(NO2)2CN]
• Chemical name: hydrazinium dinitrocyanomethide
• Formula: C H6 N4 O4
• Calculated formula: C H6 N4 O4
• SMILES: C(=N([O-])=O)N(=O)=O.N[NH3+]
• Title of publication: 5-(Fluorodinitromethyl)-2H-tetrazole and its tetrazolates - Preparation and Characterization of New High Energy Compounds.
• Authors of publication: Haiges, Ralf; Christe, Karl O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 10166 - 10176
• a: 3.6434 ± 0.0004 Å
• b: 13.7827 ± 0.0013 Å
• c: 10.6457 ± 0.001 Å
• α: 90°
• β: 98.23 ± 0.002°
• γ: 90°
• Cell volume: 529.08 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0285
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No