Information card for entry 2214343

Structure parameters

• Chemical name: nitroguanidinium nitrate–guanidinium nitrate (1/1)
• Formula: C2 H11 N9 O8
• Calculated formula: C2 H11 N9 O8
• SMILES: C(=[NH2+])(N)N.C(=[NH2+])(NN(=O)=O)N.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: The energetic double salt nitroguanidinium nitrate–guanidinium nitrate (1/1)
• Authors of publication: Steinhauser, Georg; Crawford, Margaret-Jane; Darwich, Chaza; Klapötke, Thomas M.; Miró Sabaté, Carles; Welch, Jan M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3100 - o3101
• a: 12.7337 ± 0.0011 Å
• b: 6.9096 ± 0.0006 Å
• c: 13.7852 ± 0.0013 Å
• α: 90°
• β: 115.623 ± 0.011°
• γ: 90°
• Cell volume: 1093.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes