Information card for entry 2211068

Structure parameters

• Chemical name: Diaquabis(quinoline-8-sulfonato-κ^2^N,O)zinc(II)
• Formula: C18 H16 N2 O8 S2 Zn
• Calculated formula: C18 H16 N2 O8 S2 Zn
• SMILES: [Zn]12([n]3cccc4c3c(ccc4)S(=O)(=O)O1)([n]1cccc3c1c(ccc3)S(=O)(=O)O2)([OH2])[OH2]
• Title of publication: Diaquabis(quinoline-8-sulfonato-κ^2^<i>N</i>,<i>O</i>)zinc(II)
• Authors of publication: Ya-Ru Pan; Li-Bin Wang; Pei-Ying Zhan; Yan-Ling Niu; Gao-Quan Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2970 - m2971
• a: 8.58 ± 0.005 Å
• b: 15.037 ± 0.005 Å
• c: 7.798 ± 0.005 Å
• α: 90°
• β: 113.038 ± 0.005°
• γ: 90°
• Cell volume: 925.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0952
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes