Information card for entry 2233660

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]- μ-2,2'-[1,4-phenylenebis(sulfanediyl)]diacetato-κ^2^<i>O</i>:<i>O</i>']
• Formula: C20 H20 N2 O6 S2 Zn
• Calculated formula: C20 H20 N2 O6 S2 Zn
• SMILES: [Zn]1([OH2])([OH2])([n]2ccccc2c2[n]1cccc2)(OC(=O)CSc1ccc(cc1)SCC(=O)O[Zn]1([OH2])([OH2])[n]2ccccc2c2[n]1cccc2)OC(=O)CSc1ccc(cc1)SCC(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-2,2'-[1,4-phenylenebis(sulfanediyl)]diacetato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Lin, Hong; Wang, Xiao-Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m105
• a: 20.4396 ± 0.0008 Å
• b: 12.8695 ± 0.0008 Å
• c: 7.9798 ± 0.0004 Å
• α: 90°
• β: 90.765 ± 0.003°
• γ: 90°
• Cell volume: 2098.88 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes