Information card for entry 7029065

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: 10.4041 ± 0.0008 Å
• b: 12.3307 ± 0.0009 Å
• c: 13.4434 ± 0.0011 Å
• α: 89.643 ± 0.004°
• β: 83.777 ± 0.004°
• γ: 74.684 ± 0.004°
• Cell volume: 1653.1 ± 0.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0784
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No