Information card for entry 7221609

Structure parameters

• Formula: C6 H7 N6 Na O8
• Calculated formula: C6 H7 N6 Na O8
• SMILES: [Na+].n1c2c(c(c(c([NH-])c2n(o1)=O)N(=O)=O)N)N(=O)=O.O.O
• Title of publication: Crystal Structure, Thermal Decomposition, Mechanical Sensitivity of Na[CL-14•2H2O] and Its Catalytic Effect On the Thermal Decomposition of Ammonium Nitrate
• Authors of publication: cheng, jian; dong, yan; ma, hui; li, lixia; Liu, Zuliang; Zhao, Feng-Qi; Xu, Siyu
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.087 ± 0.003 Å
• b: 13.021 ± 0.003 Å
• c: 6.307 ± 0.0013 Å
• α: 90°
• β: 90.56 ± 0.03°
• γ: 90°
• Cell volume: 1074.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1209
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1752
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No