Information card for entry 1512764

Structure parameters

• Formula: C46 H52 Cl4 Cu2 N8 O20
• Calculated formula: C46 H52 Cl4 Cu2 N8 O20
• SMILES: [Cu]1234[N](=Cc5c([O]1[Cu]167[N](=Cc8c([O]21)cccc8)CC(C)(c1[nH+]cccc1)C[N]6=Cc1[n]7cccc1)cccc5)CC(C)(c1[nH+]cccc1)C[N]3=Cc1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.OC
• Title of publication: Copper(II) complexes of symmetric and asymmetric bis(imine) ligands: Tuning the Cu(I)/Cu(II) redox couple
• Authors of publication: Anna Jozwiuk; Zhaodong Wang; Douglas R. Powell; Robert P. Houser
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 394
• Pages of publication: 415 - 422
• a: 20.587 ± 0.012 Å
• b: 12.266 ± 0.007 Å
• c: 21.779 ± 0.012 Å
• α: 90°
• β: 110.162 ± 0.016°
• γ: 90°
• Cell volume: 5163 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No