Information card for entry 2217562

Structure parameters

• Chemical name: Di-μ-chlorido-bis{[2-(2-pyridylmethylamino)ethanesulfonato- κ^3^N,N',O]copper(II)}
• Formula: C16 H22 Cl2 Cu2 N4 O6 S2
• Calculated formula: C16 H22 Cl2 Cu2 N4 O6 S2
• SMILES: c1[n]2c(ccc1)C[NH]1[Cu]32(OS(=O)(=O)CC1)[Cl][Cu]12([n]4ccccc4C[NH]1CCS(=O)(=O)O2)[Cl]3
• Title of publication: Di-μ-chlorido-bis{[2-(2-pyridylmethylamino)ethanesulfonato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]copper(II)}
• Authors of publication: Zhong-Xiang Du; Jian-Hua Qin; Jian-Ge Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m341 - m341
• a: 8.294 ± 0.001 Å
• b: 8.362 ± 0.001 Å
• c: 9.11 ± 0.001 Å
• α: 103.773 ± 0.002°
• β: 98.118 ± 0.002°
• γ: 113.043 ± 0.002°
• Cell volume: 544.92 ± 0.11 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes