Information card for entry 7226205

Structure parameters

• Formula: C3 H10 N10 Na O4.5
• Calculated formula: C3 H10 N10 Na O4.5
• SMILES: C(c1[n-]nnn1)(=N[O-])c1n[nH]nn1.O[NH3+].O.O.[Na+].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: 14.431 ± 0.003 Å
• b: 3.567 ± 0.0007 Å
• c: 22.642 ± 0.008 Å
• α: 90°
• β: 111.56 ± 0.02°
• γ: 90°
• Cell volume: 1084 ± 0.5 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 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No