Information card for entry 4516225

Structure parameters

• Formula: C4 H11 N18 Na O3
• Calculated formula: C4 H11 N18 Na O3
• SMILES: c1(nn[n]([nH]1)[Na]([OH2])([OH2])([OH2])[n]1c(Nc2[nH]nnn2)[nH]nn1)Nc1[n-]nnn1
• Title of publication: Facile Synthesis and Accelerated Combustion Effect of Micro-/Nanostructured Amorphous and Crystalline Metal Coordination Compounds Based on N,N-Bis[1H-tetrazol-5-yl]amine
• Authors of publication: Wu, Bo; Lai, Yuan; Qi, Xiufang; Du, Huiying; Pei, Chonghua
• Journal of publication: ACS Applied Energy Materials
• Year of publication: 2019
• a: 6.3211 ± 0.0004 Å
• b: 12.4338 ± 0.0008 Å
• c: 18.4599 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1450.86 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No