Information card for entry 2300009

Structure parameters

• Common name: biguanidinium mono-dinitramide
• Formula: C2 H8 N8 O4
• Calculated formula: C2 H8 N8 O4
• SMILES: O=N([N-]N(=O)=O)=O.NC(N=C(N)N)=[NH2+]
• Title of publication: Energetic materials: variable-temperature crystal structures of two biguanidinium dinitramides
• Authors of publication: Bolotina, Nadezhda B.; Hardie, Michaele J.; Pinkerton, A. Alan
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2003
• Journal volume: 36
• Journal issue: 6
• Pages of publication: 1334 - 1341
• a: 4.2928 ± 0.0001 Å
• b: 9.3043 ± 0.0002 Å
• c: 10.5438 ± 0.0003 Å
• α: 85.236 ± 0.002°
• β: 82.032 ± 0.002°
• γ: 81.19 ± 0.002°
• Cell volume: 411.326 ± 0.018 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.1497
• Weighted residual factors for significantly intense reflections: 0.1303
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No