Information card for entry 1567751

Structure parameters

• Common name: ammonium dinitramide 2-imidizolidinone cocrystal
• Chemical name: ammonium dinitramide 2-imidizolidinone cocrystal
• Formula: C3 H10 N6 O5
• Calculated formula: C3 H10 N6 O5
• Title of publication: Discovery strategy leads to the first melt-castable cocrystal based on an energetic oxidizing salt
• Authors of publication: Bellas, Michael K.; Matzger, Adam J.
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 41
• Pages of publication: 12100 - 12106
• a: 24.756 ± 0.0005 Å
• b: 4.29 ± 0.0001 Å
• c: 17.8827 ± 0.0003 Å
• α: 90°
• β: 107.988 ± 0.002°
• γ: 90°
• Cell volume: 1806.37 ± 0.07 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No