Information card for entry 2101849

Structure parameters

• Formula: C2 H11 N11 O9
• Calculated formula: C2 H11 N11 O9
• SMILES: O=N(=O)N=N([O-])=O.O=N(=O)N=N([O-])=O.O.[NH2+]=C(N)NC(=[NH2+])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: 6.4201 ± 0.0006 Å
• b: 13.408 ± 0.001 Å
• c: 14.584 ± 0.002 Å
• α: 90 ± 0.009°
• β: 90 ± 0.01°
• γ: 90 ± 0.008°
• Cell volume: 1255.4 ± 0.2 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.032
• Goodness-of-fit parameter for significantly intense reflections: 2.565
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No