Information card for entry 2208162

Structure parameters

• Chemical name: Tetraaquabis[2-(4-pyridyl)ethanesulfonato-κN]copper(II)
• Formula: C14 H24 Cu N2 O10 S2
• Calculated formula: C14 H24 Cu N2 O10 S2
• SMILES: c1cc(cc[n]1[Cu]([OH2])([n]1ccc(cc1)CCS(=O)(=O)[O-])([OH2])([OH2])[OH2])CCS(=O)(=O)[O-]
• Title of publication: Tetraaquabis[2-(4-pyridyl)ethanesulfonato-κ<i>N</i>]copper(II)
• Authors of publication: Qi-Wei Zhang; Yi-Hang Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m306 - m308
• a: 9.0089 ± 0.0011 Å
• b: 8.7859 ± 0.0011 Å
• c: 12.7866 ± 0.0016 Å
• α: 90°
• β: 93.402 ± 0.002°
• γ: 90°
• Cell volume: 1010.3 ± 0.2 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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 significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes