Information card for entry 2227633

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(5-carboxy-2<i>H</i>-1,2,3-triazole-4-carboxylato- κ^2^<i>N</i>^3^,<i>O</i>^4^)sodium]-di-μ-aqua-κ^4^<i>O</i>:<i>O</i>]
• Formula: C4 H6 N3 Na O6
• Calculated formula: C4 H6 N3 Na O6
• SMILES: [Na+].O=C([O-])c1n[nH]nc1C(=O)O.O.O
• Title of publication: <i>catena</i>-Poly[[(5-carboxy-2<i>H</i>-1,2,3-triazole-4-carboxylato-κ^2^<i>N</i>^3^,<i>O</i>^4^)sodium]-di-μ-aqua-κ^4^<i>O</i>:<i>O</i>]
• Authors of publication: Liu, Hai-Yan; Liu, Li-Xin; Sha, Jing-Quan; Yu, Lian-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1336 - m1337
• a: 6.8706 ± 0.0009 Å
• b: 10.628 ± 0.0013 Å
• c: 11.5585 ± 0.0014 Å
• α: 90°
• β: 95.647 ± 0.001°
• γ: 90°
• Cell volume: 839.91 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes