Information card for entry 2223491

Structure parameters

• Chemical name: Bis[2-(2-pyridylmethyleneamino)benzenesulfonato]- κ^3^<i>N</i>,<i>N</i>',<i>O</i>;κ^2^<i>N</i>,<i>N</i>'-copper(II)
• Formula: C24 H18 Cu N4 O6 S2
• Calculated formula: C24 H18 Cu N4 O6 S2
• SMILES: [Cu]123(OS(=O)(=O)c4c([N]3=Cc3[n]2cccc3)cccc4)[n]2ccccc2C=[N]1c1c(S(=O)(=O)[O-])cccc1
• Title of publication: Bis[2-(2-pyridylmethyleneamino)benzenesulfonato]-κ^3^<i>N</i>,<i>N</i>',<i>O</i>;κ^2^<i>N</i>,<i>N</i>'-copper(II)
• Authors of publication: Yang, Ge-Ge; Ou-Yang, Miao; Meng, Xiu-Jin; Huang, Xue-Ren; Jiang, Yi-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1200
• a: 17.347 ± 0.004 Å
• b: 14.686 ± 0.004 Å
• c: 18.83 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4797 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes