Information card for entry 2011230

Structure parameters

• Chemical name: Bis(4-Pyridineethanesulfonato-N) Tetraaquazinc
• Formula: C14 H24 N2 O10 S2 Zn
• Calculated formula: C14 H24 N2 O10 S2 Zn
• SMILES: [OH2][Zn]([n]1ccc(cc1)CCS(=O)(=O)[O-])([n]1ccc(cc1)CCS(=O)(=O)[O-])([OH2])([OH2])[OH2]
• Title of publication: Tetraaquabis[2-(4-pyridyl)ethanesulfonato-<i>N</i>]zinc(II)
• Authors of publication: Zeng, Xi-Rui; Xiong, Ren-Geng; Xu, Yan; Liu, Yong-Jiang; You, Xiao-Zeng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 943 - 944
• a: 9.0967 ± 0.0014 Å
• b: 8.8122 ± 0.0013 Å
• c: 12.5396 ± 0.0014 Å
• α: 90°
• β: 94.91 ± 0.01°
• γ: 90°
• Cell volume: 1001.5 ± 0.2 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: 0.037
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes