Information card for entry 1508373

Structure parameters

• Formula: C8 H15 N11 O8
• Calculated formula: C8 H15 N11 O8
• SMILES: [O-]c1c(N(=O)=O)c([O-])c(N(=O)=O)cc1N(=O)=O.[NH2+]=C(N)NN.[NH2+]=C(N)NN
• Title of publication: Molecular and Crystal Structure of a New High Energy Density Material: Aminoguanidinium-styphnate, [H2NNHC(NH2)2]2[C6HO2(NO2)3]
• Authors of publication: Deblitz, Raik; Hrib, Cristian G.; Plenikowski, Georg; Edelmann, Frank T.
• Journal of publication: Crystals
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 34 - 42
• a: 6.7224 ± 0.0003 Å
• b: 10.7473 ± 0.0004 Å
• c: 11.9604 ± 0.0005 Å
• α: 113.212 ± 0.004°
• β: 90.579 ± 0.003°
• γ: 99.815 ± 0.003°
• Cell volume: 779.68 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0627
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No