Information card for entry 2019380

Structure parameters

• Chemical name: Poly[[aqua(μ-oxalato)[1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione]cadmium(II)] monohydrate]
• Formula: C4 H7 Cd N3 O6 S
• Calculated formula: C4 H7 Cd N3 O6 S
• Title of publication: The coordination polymer poly[[aqua(μ-oxalato)[1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione]cadmium(II)] monohydrate]
• Authors of publication: Liang, Qian; Wang, Yu-Lin; Zhao, Yan; Cao, Gao-Juan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: 182 - 184
• a: 6.1241 ± 0.0012 Å
• b: 8.4939 ± 0.0017 Å
• c: 10.224 ± 0.002 Å
• α: 67.94 ± 0.03°
• β: 80.46 ± 0.03°
• γ: 77.48 ± 0.03°
• Cell volume: 479.1 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0562
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes