Information card for entry 7029067

Structure parameters

• Chemical name: Λ-rac-Bis{(R)-N-1-(4-bromophenyl)ethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}copper(II)
• Formula: C38 H30 Br2 Cu N2 O2
• Calculated formula: C38 H30 Br2 Cu N2 O2
• SMILES: Brc1ccc([C@H]([N]2[Cu]3(Oc4c(C=[N]3[C@@H](c3ccc(Br)cc3)C)c3c(cccc3)cc4)Oc3c(C=2)c2ccccc2cc3)C)cc1
• 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: 16.146 ± 0.005 Å
• b: 5.602 ± 0.003 Å
• c: 17.357 ± 0.006 Å
• α: 90°
• β: 99.1 ± 0.03°
• γ: 90°
• Cell volume: 1550.2 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.916
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No