Information card for entry 2219416

Structure parameters

• Chemical name: Bis[2-(2-pyridylmethyleneamino)benzenesulfonato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>]zinc(II) dihydrate
• Formula: C24 H22 N4 O8 S2 Zn
• Calculated formula: C24 H22 N4 O8 S2 Zn
• SMILES: C1=[N]2c3ccccc3S(=O)(=O)O[Zn]342([n]2c1cccc2)[n]1c(cccc1)C=[N]3c1ccccc1S(=O)(=O)O4.O.O
• Title of publication: Bis[2-(2-pyridylmethyleneamino)benzenesulfonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]zinc(II) dihydrate
• Authors of publication: Cai, Cheng-Xiang; Ou-Yang, Miao; Zhao, Zhi-Yuan; Jiang, Yi-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1195
• a: 19.709 ± 0.0015 Å
• b: 8.0722 ± 0.0006 Å
• c: 16.339 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2599.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes