Information card for entry 2217622

Structure parameters

• Chemical name: Hexaaquazinc(II) bis[4-(2-hydroxybenzylideneamino)benzenesulfonate]
• Formula: C26 H32 N2 O14 S2 Zn
• Calculated formula: C26 H32 N2 O14 S2 Zn
• SMILES: c1(ccc(cc1)/N=C/c1c(O)cccc1)S(=O)(=O)[O-].[OH2][Zn]([OH2])([OH2])([OH2])([OH2])[OH2].c1(ccc(cc1)/N=C/c1c(O)cccc1)S(=O)(=O)[O-]
• Title of publication: Hexaaquazinc(II) bis[4-(2-hydroxybenzylideneamino)benzenesulfonate]
• Authors of publication: Tai, Xi-Shi; Yin, Jie; Hao, Ming-Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m273 - m273
• a: 6.3255 ± 0.001 Å
• b: 35.312 ± 0.003 Å
• c: 6.9832 ± 0.001 Å
• α: 90°
• β: 90.391 ± 0.002°
• γ: 90°
• Cell volume: 1559.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes