Information card for entry 4301455

Structure parameters

• Common name: Aminoguanidinium 4,5-dicyano-1,2,3-triazolate
• Chemical name: Aminoguanidinium 4,5-dicyano-1,2,3-triazolate
• Formula: C5 H7 N9
• Calculated formula: C5 H7 N9
• SMILES: [n-]1c(C#N)c(nn1)C#N.[NH2+]=C(N)NN
• Title of publication: Synthesis and Characterization of 4,5-Dicyano-2H-1,2,3-triazole and Its Sodium, Ammonium, and Guanidinium Salts
• Authors of publication: Margaret-Jane Crawford; Konstantin Karaghiosoff; Thomas M. Klapötke; Franz A. Martin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1731 - 1743
• a: 7.0921 ± 0.0009 Å
• b: 7.2893 ± 0.0009 Å
• c: 8.8671 ± 0.0011 Å
• α: 90°
• β: 105.141 ± 0.011°
• γ: 90°
• Cell volume: 442.48 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 a 1
• Hall space group symbol: P -2ya
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No