Information card for entry 7202998

Structure parameters

• Common name: (C4H7N2)2(C2N6O4)
• Formula: C10 H14 N10 O4
• Calculated formula: C10 H14 N10 O4
• SMILES: Cn1c[nH+]cc1.c1([n-]nnn1)C(=N([O-])=O)N(=O)=O.Cn1c[nH+]cc1
• Title of publication: Energetic mono and dibasic 5-dinitromethyltetrazolates: synthesis, properties, and particle processing
• Authors of publication: Zhuo Zeng; Haixiang Gao; Brendan Twamley; Jean'ne M. Shreeve
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2007
• Journal volume: 17
• Journal issue: 36
• Pages of publication: 3819
• a: 15.7214 ± 0.001 Å
• b: 12.7935 ± 0.0008 Å
• c: 8.1458 ± 0.0005 Å
• α: 90°
• β: 121.096 ± 0.001°
• γ: 90°
• Cell volume: 1402.95 ± 0.15 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0424
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No