Information card for entry 7226204

Structure parameters

• Formula: C3 H10 N9 Na O5
• Calculated formula: C3 H10 N9 Na O5
• SMILES: N(=C(c1[n-]nnn1)c1[nH]nnn1)O.O.[Na+].O.O.O
• Title of publication: Studies on sodium polymers based on Di(1H-tetrazol-5-yl) methanone oxime
• Authors of publication: Guo, Weiming; Zhang, Tonglai; Zhang, Bo; Feng, Yongan; Chen, Sitong; Mi, Zhenhao
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 11.797 ± 0.002 Å
• b: 3.548 ± 0.0007 Å
• c: 13.404 ± 0.003 Å
• α: 90°
• β: 106.25 ± 0.03°
• γ: 90°
• Cell volume: 538.6 ± 0.2 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No