Information card for entry 7041103

Structure parameters

• Common name: 3,3,3-Trinitropropan-1-aminium dinitramide
• Chemical name: 3,3,3-Trinitropropan-1-aminium dinitramide
• Formula: C3 H7 N7 O10
• Calculated formula: C3 H7 N7 O10
• SMILES: O=N(=O)C(N(=O)=O)(N(=O)=O)CC[NH3+].O=N(=O)N=N([O-])=O
• Title of publication: Convenient synthesis of energetic polynitro materials including (NO2)3CCH2CH2NH3-salts via Michael addition of trinitromethane.
• Authors of publication: Axthammer, Quirin J.; Klapötke, Thomas M; Krumm, Burkhard; Scharf, Regina; Unger, Cornelia C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 47
• Pages of publication: 18909 - 18920
• a: 6.7087 ± 0.0005 Å
• b: 11.2547 ± 0.0007 Å
• c: 15.2144 ± 0.0009 Å
• α: 75.527 ± 0.005°
• β: 79.28 ± 0.005°
• γ: 75.733 ± 0.006°
• Cell volume: 1068.48 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0436
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No