Information card for entry 2224074

Structure parameters

• Chemical name: Tetraaquabis(2-oxo-1,2-dihydropyridine-5-sulfonato-κ<i>O</i>^2^)zinc(II)
• Formula: C10 H16 N2 O12 S2 Zn
• Calculated formula: C10 H16 N2 O12 S2 Zn
• SMILES: c1(ccc(c[nH]1)S(=O)(=O)[O-])=[O][Zn]([OH2])([OH2])([O]=c1ccc(c[nH]1)S(=O)(=O)[O-])([OH2])[OH2]
• Title of publication: Tetraaquabis(2-oxo-1,2-dihydropyridine-5-sulfonato-κ<i>O</i>^2^)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: m1310
• a: 6.7701 ± 0.0002 Å
• b: 13.9725 ± 0.0005 Å
• c: 10.0343 ± 0.0003 Å
• α: 90°
• β: 115.331 ± 0.002°
• γ: 90°
• Cell volume: 857.93 ± 0.05 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: 0.0239
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes