Information card for entry 2211246

Structure parameters

• Chemical name: catena-Poly[[[triaquasulfatozinc(II)]-μ-4,4'-bipyridine] ethane-1,2-diol solvate]
• Formula: C12 H20 N2 O9 S Zn
• Calculated formula: C12 H20 N2 O9 S Zn
• SMILES: [Zn]([OH2])([OH2])([OH2])(OS(=O)(=O)[O-])[n]1ccc(cc1)c1cc[n]([Zn]([OH2])([OH2])([OH2])(OS(=O)(=O)[O-])[n]2ccc(cc2)c2ccncc2)cc1.C(O)CO.C(O)CO
• Title of publication: <i>catena</i>-Poly[[[triaquasulfatozinc(II)]-μ-4,4'-bipyridine] ethane-1,2-diol solvate]
• Authors of publication: Wen-Jie Lu; Yi-Min Zhu; Kai-Long Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3036 - m3038
• a: 7.5357 ± 0.0007 Å
• b: 11.7504 ± 0.0012 Å
• c: 19.4596 ± 0.0019 Å
• α: 90°
• β: 98.776 ± 0.002°
• γ: 90°
• Cell volume: 1702.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0296
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0681
• 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