Information card for entry 2205337

Structure parameters

• Chemical name: catena-Poly[[cis-diaqua(2,2'-bipyridine)cobalt(II)]-μ-3-carboxylato-4- hydroxybenzenesulfonato]
• Formula: C17 H16 Co N2 O8 S
• Calculated formula: C17 H16 Co N2 O8 S
• SMILES: [Co]1(OC(=O)c2c(O)ccc(S(=O)(=O)[O-])c2)([OH2])([OH2])([n]2ccccc2c2[n]1cccc2)OS(=O)(=O)c1ccc(O)c(C(=O)O[Co]2([n]3c(c4[n]2cccc4)cccc3)([OH2])[OH2])c1
• Title of publication: <i>catena</i>-Poly[[<i>cis</i>-diaqua(2,2'-bipyridine)cobalt(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: m435 - m436
• a: 14.425 ± 0.001 Å
• b: 7.6138 ± 0.0005 Å
• c: 18.129 ± 0.001 Å
• α: 90°
• β: 111.776 ± 0.001°
• γ: 90°
• Cell volume: 1849 ± 0.2 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: 0.074
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.34
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes