Information card for entry 2218479

Structure parameters

• Chemical name: <i>catena</i>-Poly[[tetraaquazinc(II)]-μ-1,3,4-thiadiazol-2,5-\ diyldithiodiacetato-κ^2^<i>O</i>:<i>O</i>']
• Formula: C6 H12 N2 O8 S3 Zn
• Calculated formula: C6 H12 N2 O8 S3 Zn
• SMILES: [Zn](OC(=O)CSc1nnc(SCC(=O)[O-])s1)([OH2])([OH2])([OH2])([OH2])OC(=O)CSc1nnc(s1)SCC(=O)O[Zn]([OH2])([OH2])([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[[tetraaquazinc(II)]-μ-1,3,4-thiadiazol-2,5-diyldithiodiacetato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Yu, Ying-Hui; He, Chuan; Hou, Guang-Feng; Gao, Jin-Sheng; Zhang, Hong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m794
• a: 5.1554 ± 0.001 Å
• b: 9.5043 ± 0.0019 Å
• c: 13.627 ± 0.003 Å
• α: 90°
• β: 94.82 ± 0.03°
• γ: 90°
• Cell volume: 665.3 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes