Information card for entry 4301456

Structure parameters

• Common name: Diaminoguanidinium 4,5-dicyano-1,2,3-triazolate
• Chemical name: Diaminoguanidinium 4,5-dicyano-1,2,3-triazolate
• Formula: C5 H8 N10
• Calculated formula: C5 H8 N10
• SMILES: NNC(=[NH2+])NN.[n-]1c(C#N)c(C#N)nn1
• 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: 3.7727 ± 0.0004 Å
• b: 15.6832 ± 0.0017 Å
• c: 8.3416 ± 0.001 Å
• α: 90°
• β: 101.797 ± 0.01°
• γ: 90°
• Cell volume: 483.13 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No