Information card for entry 4133460

Structure parameters

• Chemical name: ethylenediammonium dinitroformate
• Formula: C4 H10 N8 O12
• Calculated formula: C4 H10 N8 O12
• 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: 10.023 ± 0.004 Å
• b: 9.24 ± 0.003 Å
• c: 8.25 ± 0.003 Å
• α: 90°
• β: 116.017 ± 0.005°
• γ: 90°
• Cell volume: 686.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No