Information card for entry 7215700

Structure parameters

• Formula: C4 H8 N10 O4
• Calculated formula: C4 H8 N10 O4
• SMILES: C(=O)([O-])C(=O)[O-].c1(N)[nH]nn[nH+]1.c1(N)[nH]nn[nH+]1
• Title of publication: Intermolecular interaction influenced energy and sensitivity of highly energetic salts: structure and physicochemical properties
• Authors of publication: Su, Zhiyong; Liu, Xiangyu; Yang, Qi; Zhang, Sheng; Wei, Qing; Xie, Gang; Chen, Sanping; Gao, Shengli
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 20
• Pages of publication: 4245
• a: 3.6377 ± 0.001 Å
• b: 11.723 ± 0.003 Å
• c: 12.387 ± 0.003 Å
• α: 90°
• β: 97.696 ± 0.005°
• γ: 90°
• Cell volume: 523.5 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0902
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No