Information card for entry 4133463

Structure parameters

• Chemical name: methylammonium nitroformate
• Formula: C2 H6 N4 O6
• Calculated formula: C2 H6 N4 O6
• Title of publication: Formamidinium Nitroformate: An Insensitive RDX Alternative.
• Authors of publication: Baxter, Amanda F.; Martin, Igor; Christe, Karl O.; Haiges, Ralf
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 44
• Pages of publication: 15089 - 15098
• a: 8.226 ± 0.002 Å
• b: 8.403 ± 0.002 Å
• c: 10.367 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 716.6 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0816
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No