Information card for entry 2101847

Structure parameters

• Common name: Biguanidinium bis-dinitramide
• Formula: C2 H9 N11 O8
• Calculated formula: C2 H9 N11 O8
• SMILES: [O-]N(=NN(=O)=O)=O.[O-]N(=NN(=O)=O)=O.[NH2+]=C(NC(=[NH2+])N)N
• Title of publication: Energetic Materials: The Preparation and Structural Characterization of Three Biguanidinium Dinitramides
• Authors of publication: Pinkerton, A. Alan
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 504 - 512
• a: 11.892 ± 0.002 Å
• b: 8.131 ± 0.001 Å
• c: 13.038 ± 0.002 Å
• α: 90°
• β: 115.79 ± 0.01°
• γ: 90°
• Cell volume: 1135.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0542
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections: 0.1379
• Weighted residual factors for significantly intense reflections: 0.136
• Goodness-of-fit parameter for all reflections: 1.128
• Goodness-of-fit parameter for significantly intense reflections: 1.137
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes