Information card for entry 2205253

Structure parameters

• Chemical name: Poly[[cis-diaqua(2,2'-bipyridine)copper(II)]-μ-3-carboxylato-4- hydroxybenzenesulfonato]
• Formula: C17 H16 Cu N2 O8 S
• Calculated formula: C17 H16 Cu N2 O8 S
• SMILES: [Cu]1(OC(=O)c2cc(S(=O)(=O)[O-])ccc2O)([OH2])([n]2ccccc2c2[n]1cccc2)OS(=O)(=O)c1cc(c(O)cc1)C(=O)O[Cu]1[n]2c(c3[n]1cccc3)cccc2.O.O.O
• Title of publication: Poly[[<i>cis</i>-diaqua(2,2'-bipyridine)copper(II)]-μ-3-carboxylato-4-hydroxybenzenesulfonato]
• Authors of publication: Fan, Sai-Rong; Zhu, Long-Guan; Xiao, Hong-Ping; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m509 - m511
• a: 14.2339 ± 0.0008 Å
• b: 7.7622 ± 0.0004 Å
• c: 17.801 ± 0.001 Å
• α: 90°
• β: 110.94 ± 0.001°
• γ: 90°
• Cell volume: 1836.87 ± 0.17 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: 0.0566
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes