Information card for entry 7029063

Structure parameters

• Chemical name: Δ-Bis{(R)-N-(1-phenylethyl)-2-oxo-1-naphthaldiminato- κ^2^N,O}copper(II)
• Formula: C38 H32 Cu N2 O2
• Calculated formula: C38 H32 Cu N2 O2
• SMILES: [N]1([Cu]2(Oc3ccc4ccccc4c3C=1)[N](=Cc1c(O2)ccc2ccccc12)[C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1
• 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: 10.6662 ± 0.0016 Å
• b: 15.3354 ± 0.0019 Å
• c: 9.764 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1597.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0977
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.2297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No