Information card for entry 4301457

Structure parameters

• Common name: Triaminoguanidinium 4,5-dicyano-1,2,3-triazolate
• Chemical name: Triaminoguanidinium 4,5-dicyano-1,2,3-triazolate
• Formula: C5 H9 N11
• Calculated formula: C5 H9 N11
• SMILES: [NH+](N)=C(NN)NN.N#Cc1[n-]nnc1C#N
• 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: 14.0789 ± 0.0014 Å
• b: 11.579 ± 0.0011 Å
• c: 13.584 ± 0.0014 Å
• α: 90°
• β: 115.239 ± 0.01°
• γ: 90°
• Cell volume: 2003.1 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• 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: 0.1335
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No