Information card for entry 2206472

Structure parameters

• Chemical name: catena-Poly[[cis-diaqua(1,10-phenanthroline-κ^2^N,N')cobalt(II)]- μ~2~-5-sulfonatosalicylato-κ^2^O:O']
• Formula: C19 H16 Co N2 O8 S
• Calculated formula: C19 H16 Co N2 O8 S
• SMILES: [Co]1([n]2cccc3ccc4ccc[n]1c4c23)(OC(=O)c1c(O)ccc(S(=O)(=O)[O-])c1)([OH2])([OH2])OS(=O)(=O)c1ccc(O)c(C(=O)O[Co]2([n]3cccc4ccc5ccc[n]2c5c34)([OH2])[OH2])c1
• Title of publication: <i>catena</i>-Poly[[<i>cis</i>-diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ~2~-5-sulfonatosalicylato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Fan, Sai-Rong; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1598 - m1600
• a: 14.3102 ± 0.0008 Å
• b: 7.6342 ± 0.0004 Å
• c: 18.5783 ± 0.001 Å
• α: 90°
• β: 107.637 ± 0.001°
• γ: 90°
• Cell volume: 1934.22 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.302
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes