Information card for entry 2205786

Structure parameters

• Chemical name: catena-Poly[[cis-diaqua(2,2'-bipyridine)zinc(II)]-μ-5-sulfonatosalicylato]
• Formula: C17 H16 N2 O8 S Zn
• Calculated formula: C17 H16 N2 O8 S Zn
• SMILES: [Zn]1([n]2ccccc2c2[n]1cccc2)(OS(=O)(=O)c1cc(c(O)cc1)C(=O)[O-])([OH2])([OH2])OC(=O)c1cc(S(=O)(=O)O[Zn]2([n]3ccccc3c3[n]2cccc3)([OH2])[OH2])ccc1O
• Title of publication: <i>catena</i>-Poly[[<i>cis</i>-diaqua(2,2'-bipyridine)zinc(II)]-μ-5-sulfonatosalicylato]
• Authors of publication: Fan, Sai-Rong; Zhu, Long-Guan; Xiao, Hong-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m804 - m806
• a: 14.433 ± 0.002 Å
• b: 7.6395 ± 0.0008 Å
• c: 18.089 ± 0.002 Å
• α: 90°
• β: 111.527 ± 0.002°
• γ: 90°
• Cell volume: 1855.4 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0319
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes