Information card for entry 2213414

Structure parameters

• Chemical name: Sodium isocyanurate monohydrate
• Formula: C3 H4 N3 Na O4
• Calculated formula: C3 H4 N3 Na O4
• SMILES: [Na+].[O-]C1=NC(=O)NC(=O)N1.O
• Title of publication: Sodium isocyanurate monohydrate
• Authors of publication: Zhu, Bao-Yong; Han, Chun-Lei; Fan, Jian-Dong; Yu, Wen-Tao; Cui, De-Liang; Jing, Hai-Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1463 - m1464
• a: 3.5987 ± 0.0001 Å
• b: 9.1257 ± 0.0001 Å
• c: 9.2311 ± 0.0001 Å
• α: 91.139 ± 0.001°
• β: 99.159 ± 0.001°
• γ: 91.535 ± 0.001°
• Cell volume: 299.093 ± 0.01 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes