Information card for entry 4133459

Structure parameters

• Common name: formamidinium nitroformate
• Chemical name: formamidinium nitroformate
• Formula: C2 H5 N5 O6
• Calculated formula: C2 H5 N5 O6
• SMILES: C(=N([O-])=O)(N(=O)=O)N(=O)=O.C(=[NH2+])N
• 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: 6.764 ± 0.004 Å
• b: 7.374 ± 0.005 Å
• c: 8.058 ± 0.005 Å
• α: 98.976 ± 0.011°
• β: 100.324 ± 0.011°
• γ: 109.945 ± 0.01°
• Cell volume: 361.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 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: 0.1238
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No