Information card for entry 2211423

Structure parameters

• Chemical name: Bis[N-(2-Aminoethyl)-4-methylbenzenesulfonamidato]copper(II)
• Formula: C18 H26 Cu N4 O4 S2
• Calculated formula: C18 H26 Cu N4 O4 S2
• SMILES: c1(ccc(cc1)C)S(=O)(=O)N1[Cu]2(N(S(=O)(=O)c3ccc(cc3)C)CC[NH2]2)[NH2]CC1
• Title of publication: Bis[<i>N</i>-(2-aminoethyl)-4-methylbenzenesulfonamidato]copper(II)
• Authors of publication: Man-Cheng Hu; Xiao-Yun Wei; Shuni Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3265 - m3266
• a: 5.6497 ± 0.0006 Å
• b: 7.841 ± 0.0009 Å
• c: 13.2882 ± 0.0015 Å
• α: 73.02 ± 0.001°
• β: 84.913 ± 0.001°
• γ: 69.454 ± 0.001°
• Cell volume: 527.12 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes