Information card for entry 7005820

Structure parameters

• Common name: Cu(PEMAEA)CuCl Compound 2
• Formula: C23 H27 Cl Cu2 N4 O3 S
• Calculated formula: C23 H27 Cl Cu2 N4 O3 S
• SMILES: [Cu]1234[Cu](Cl)[N]4(S(=O)(=O)c4ccc(OC)cc4)CC[N]2(CCc2[n]1cccc2)CCc1[n]3cccc1
• Title of publication: Asymmetric dinuclear copper(I) complexes of bis-(2-(2-pyridyl)ethyl)-2-(N-toluenesulfonylamino)ethylamine with short copper-copper distances.
• Authors of publication: Goodwin, Jocelyn M.; Chiang, Pin-Chieh; Brynda, Marcin; Penkina, Katerina; Olmstead, Marilyn M.; Patten, Timothy E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 28
• Pages of publication: 3086 - 3092
• a: 9.5617 ± 0.0012 Å
• b: 9.9875 ± 0.001 Å
• c: 13.472 ± 0.0012 Å
• α: 92.187 ± 0.008°
• β: 91.981 ± 0.009°
• γ: 108.049 ± 0.008°
• Cell volume: 1220.9 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0643
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No