Information card for entry 2223658

Structure parameters

• Chemical name: Diaquabis(4-oxo-1,4-dihydropyridine-3-sulfonato- κ^2^<i>O</i>^3^,<i>O</i>^4^)zinc(II)
• Formula: C10 H12 N2 O10 S2 Zn
• Calculated formula: C10 H12 N2 O10 S2 Zn
• SMILES: c1c2c(=[O][Zn]3(OS2(=O)=O)([OH2])(OS(=O)(=O)c2c[nH]ccc2=[O]3)[OH2])cc[nH]1
• Title of publication: Diaquabis(4-oxo-1,4-dihydropyridine-3-sulfonato-κ^2^<i>O</i>^3^,<i>O</i>^4^)zinc(II)
• Authors of publication: Zhu, Zhi-Biao; Gao, Shan; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1493
• a: 4.9263 ± 0.0001 Å
• b: 20.9529 ± 0.0006 Å
• c: 7.4437 ± 0.0002 Å
• α: 90°
• β: 98.9371 ± 0.0009°
• γ: 90°
• Cell volume: 759.01 ± 0.03 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: 0.0268
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes