Information card for entry 2219962

Structure parameters

• Chemical name: Bis[2-(2-pyridylmethyleneamino)benzenesulfonato- κ^3^<i>N</i>,<i>N</i>',<i>O</i>]cadmium(II) dihydrate
• Formula: C24 H22 Cd N4 O8 S2
• Calculated formula: C24 H22 Cd N4 O8 S2
• SMILES: c12c(cccc2)[N]2=Cc3cccc[n]3[Cd]342(OS1(=O)=O)[N](c1c(cccc1)S(=O)(=O)O4)=Cc1cccc[n]31.O.O
• Title of publication: Bis[2-(2-pyridylmethyleneamino)benzenesulfonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]cadmium(II) dihydrate
• Authors of publication: Ou-Yang, Miao; Huang, Xue-Ren; Zhang, Yun-Liang; Jiang, Yi-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1461
• a: 20.255 ± 0.004 Å
• b: 7.8924 ± 0.0017 Å
• c: 16.475 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2633.7 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0655
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes