Information card for entry 2300019

Structure parameters

• Common name: biguanidinium bis-dinitramide
• Formula: C4 H18 N22 O16
• Calculated formula: C4 H18 N22 O16
• SMILES: [O-]N(=NN(=O)=O)=O.[O-]N(=NN(=O)=O)=O.[NH2+]=C(NC(=[NH2+])N)N
• 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: 11.8959 ± 0.0006 Å
• b: 8.1349 ± 0.0004 Å
• c: 13.0359 ± 0.0005 Å
• α: 90°
• β: 115.806 ± 0.001°
• γ: 90°
• Cell volume: 1135.7 ± 0.09 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 4
• 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: 0.0641
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections: 0.1428
• Weighted residual factors for significantly intense reflections: 0.1302
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No