Information card for entry 2219253

Structure parameters

• Chemical name: <i>catena</i>-Poly[[triaquazinc(II)]-μ-1<i>H</i>-1,2,4-triazole- 3,5-dicarboxylato]
• Formula: C4 H7 N3 O7 Zn
• Calculated formula: C4 H7 N3 O7 Zn
• SMILES: [Zn]1([n]2c(C(=O)O1)n[nH]c2C(=O)[O-])([OH2])([OH2])([OH2])OC(=O)c1[nH]nc2C(=O)O[Zn]([n]12)([OH2])([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[[triaquazinc(II)]-μ-1<i>H</i>-1,2,4-triazole-3,5-dicarboxylato]
• Authors of publication: Sun, Yan-Yan; Zhang, Ya-Wen; Zhang, Gong; Cheng, Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1113
• a: 10.7388 ± 0.0011 Å
• b: 6.6608 ± 0.0007 Å
• c: 13.7789 ± 0.001 Å
• α: 90°
• β: 120.384 ± 0.006°
• γ: 90°
• Cell volume: 850.22 ± 0.15 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes