Information card for entry 2101848

Structure parameters

• Formula: C2 H8 N8 O4
• Calculated formula: C2 H8 N8 O4
• SMILES: O=N(=O)N=N([O-])=O.[NH2+]=C(N=C(N)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: 4.3686 ± 0.0004 Å
• b: 9.404 ± 0.002 Å
• c: 10.742 ± 0.001 Å
• α: 83.54 ± 0.01°
• β: 80.386 ± 0.009°
• γ: 79.93 ± 0.01°
• Cell volume: 426.82 ± 0.11 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 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: 0.068
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.038
• Goodness-of-fit parameter for significantly intense reflections: 2.231
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No