Information card for entry 7245132

Structure parameters

• Formula: C H7 N10 Na2 O2.5
• Calculated formula: C H7 N10 Na2 O2.5
• Title of publication: [Na4(N5)4(H2O)2]·H2O·2MeOH: a honeycomb-like sodium pentazolate framework with helical chains
• Authors of publication: Xu, Yuangang; Xu, Ze; Zhang, Xiaopeng; Hou, Tianyang; Lu, Ming
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 9.6556 ± 0.0006 Å
• b: 9.6556 ± 0.0006 Å
• c: 18.7426 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1513.28 ± 0.15 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No