Information card for entry 7031491

Structure parameters

• Formula: C58.7 H67.4 Cl1.4 Cu2 N2 O4
• Calculated formula: C58.7 H67.4 Cl1.4 Cu2 N2 O4
• Title of publication: Chiral tetranuclear and dinuclear copper(ii) complexes for TEMPO-mediated aerobic oxidation of alcohols: are four metal centres better than two?
• Authors of publication: Zhang, Guoqi; Proni, Gloria; Zhao, Sherry; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 32
• Pages of publication: 12313 - 12320
• a: 18.391 ± 0.0014 Å
• b: 22.507 ± 0.0017 Å
• c: 13.802 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5713 ± 0.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No