Information card for entry 7029066

Structure parameters

• Chemical name: Δ-Λ-rac-Bis{(R)-N-1-(3-methoxyphenyl)ethyl-2-oxo-1-naphthaldiminato- κ^2^N,O}copper(II)
• Formula: C40 H36 Cu N2 O4
• Calculated formula: C40 H36 Cu N2 O4
• SMILES: [Cu]12(Oc3ccc4ccccc4c3C=[N]1[C@H](C)c1cccc(OC)c1)Oc1ccc3ccccc3c1C=[N]2[C@H](C)c1cc(OC)ccc1
• Title of publication: Induced chirality-at-metal and diastereoselectivity at Δ/Λ-configured distorted square-planar copper complexes by enantiopure Schiff base ligands: combined circular dichroism, DFT and X-ray structural studies.
• Authors of publication: Enamullah, Mohammed; Uddin, A. K. M. Royhan; Pescitelli, Gennaro; Berardozzi, Roberto; Makhloufi, Gamall; Vasylyeva, Vera; Chamayou, Anne-Christine; Janiak, Christoph
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 8
• Pages of publication: 3313 - 3329
• a: 10.3705 ± 0.0013 Å
• b: 12.2802 ± 0.0016 Å
• c: 13.3595 ± 0.0016 Å
• α: 88.882 ± 0.009°
• β: 83.365 ± 0.009°
• γ: 74.444 ± 0.008°
• Cell volume: 1627.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No