Information card for entry 7005821

Structure parameters

• Common name: Cu(PENAEA)CuCl Compound 3
• Formula: C22 H24 Cl Cu2 N5 O4 S
• Calculated formula: C22 H24 Cl Cu2 N5 O4 S
• SMILES: [Cu]1234[Cu](Cl)[N]4(S(=O)(=O)c4ccc(N(=O)=O)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: 8.9933 ± 0.0009 Å
• b: 10.8437 ± 0.0011 Å
• c: 26.491 ± 0.003 Å
• α: 94.085 ± 0.003°
• β: 98.63 ± 0.004°
• γ: 92.039 ± 0.003°
• Cell volume: 2544.9 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No