Information card for entry 2211203

Structure parameters

• Chemical name: catena-Poly[[cis-diaqua(1,10-phenanthroline-κ^2^N,N')nickel]- μ-5-sulfonatosalicylato-κ^2^O:O']
• Formula: C19 H16 N2 Ni O8 S
• Calculated formula: C19 H16 N2 Ni O8 S
• SMILES: [Ni]1(OS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)([OH2])([OH2])([n]2cccc3ccc4ccc[n]1c4c23)OC(=O)c1c(O)ccc(S(=O)(=O)O[Ni]2([OH2])([OH2])[n]3cccc4ccc5ccc[n]2c5c34)c1
• Title of publication: <i>catena</i>-Poly[[<i>cis</i>-diaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')nickel(II)]-μ~2~-5-sulfonatosalicylato-κ^2^<i>O</i>:<i>O</i>']
• Authors of publication: Zhong-Xiang Du; Min-Le Han; Jian-Ge Wang; Jian-Hua Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3047 - m3048
• a: 14.3397 ± 0.0012 Å
• b: 7.6085 ± 0.0006 Å
• c: 18.6129 ± 0.0015 Å
• α: 90°
• β: 108.088 ± 0.001°
• γ: 90°
• Cell volume: 1930.4 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0307
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes