Information card for entry 2015974

Structure parameters

• Chemical name: catena-Poly[[diaquazinc(II)]-μ-4,4'-sulfonyldibenzoato-κ^2^O:O']
• Formula: C14 H12 O8 S Zn
• Calculated formula: C14 H12 O8 S Zn
• SMILES: [Zn]([OH2])([OH2])(OC(=O)c1ccc(cc1)S(=O)(=O)c2ccc(cc2)C(=O)[O-])OC(=O)c1ccc(cc1)S(=O)(=O)c2ccc(cc2)C(=O)O[Zn]([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[[diaquazinc(II)]-μ-4,4'-sulfonyldibenzoato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Peng-Bin Pan; Lei Zhang; Zhao-Ji Li; Xin-Yi Cao; Yuan-Gen Yao
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m270 - m272
• a: 13.307 ± 0.002 Å
• b: 5.0336 ± 0.0005 Å
• c: 12.1142 ± 0.0018 Å
• α: 90°
• β: 116.218 ± 0.005°
• γ: 90°
• Cell volume: 727.95 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes