Information card for entry 7109976

Structure parameters

• Chemical name: guanidinium dinitromethanide
• Formula: C2 H7 N5 O4
• Calculated formula: C2 H7 N5 O4
• SMILES: C(=[NH2+])(N)N.C(=N([O-])=O)N(=O)=O
• Title of publication: Impact insensitive dinitromethanide salts
• Authors of publication: Ling He; Guo-Hong Tao; Damon A. Parrish; Jean'ne M. Shreeve
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 10329
• a: 3.497 ± 0.002 Å
• b: 17.157 ± 0.012 Å
• c: 10.822 ± 0.007 Å
• α: 90°
• β: 92.697 ± 0.01°
• γ: 90°
• Cell volume: 648.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No