Information card for entry 2234920

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[diaqua(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-4-hydroxy-3-sulfonatobenzoato- κ^2^<i>O</i>^3^:<i>O</i>^1^] sesquihydrate]
• Formula: C19 H19 Co N2 O9.5 S
• Calculated formula: C19 H19 Co N2 O9.5 S
• SMILES: [Co]1(OS(=O)(=O)c2c(O)ccc(c2)C(=O)[O-])([OH2])([OH2])([n]2c3c(ccc2)ccc2ccc[n]1c32)OC(=O)c1ccc(O)c(S(=O)(=O)O[Co]2([OH2])([OH2])[n]3c4c(ccc3)ccc3ccc[n]2c43)c1.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')cobalt(II)]-μ-4-hydroxy-3-sulfonatobenzoato-κ^2^<i>O</i>^3^:<i>O</i>^1^] sesquihydrate]
• Authors of publication: Fang, Xiang-Qian; Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m721
• a: 8.3369 ± 0.0004 Å
• b: 17.363 ± 0.0006 Å
• c: 28.6382 ± 0.001 Å
• α: 90°
• β: 93.189 ± 0.001°
• γ: 90°
• Cell volume: 4139.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes