Information card for entry 2239078

Structure parameters

• Common name: 1,1,4,7,7-Pentamethyldiethylenetriammonium trinitrate
• Chemical name: Bis[2-(dimethylazaniumyl)ethyl](methyl)azanium trinitrate
• Formula: C9 H26 N6 O9
• Calculated formula: C9 H26 N6 O9
• SMILES: [NH+](CC[NH+](CC[NH+](C)C)C)(C)C.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: 1,1,4,7,7-Pentamethyldiethylenetriammonium trinitrate
• Authors of publication: Gatfaoui, Sofian; Rzaigui, Mohamed; Marouani, Houda
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o198
• a: 5.964 ± 0.002 Å
• b: 7.018 ± 0.001 Å
• c: 21.688 ± 0.002 Å
• α: 91.9 ± 0.02°
• β: 90.6 ± 0.02°
• γ: 102.45 ± 0.03°
• Cell volume: 885.8 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0982
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes