Information card for entry 4342449

Structure parameters

• Chemical name: Δ-Bis{(R)-N-(1-(4-chlorophenyl)ethyl)salicylaldiminato- κ^2^N,O}copper(II)
• Formula: C60 H52 Cl4 Cu2 N4 O4
• Calculated formula: C60 H52 Cl4 Cu2 N4 O4
• SMILES: c12C=[N]([C@H](C)c3ccc(cc3)Cl)[Cu]3([N](=Cc4c(O3)cccc4)[C@H](C)c3ccc(cc3)Cl)Oc1cccc2
• Title of publication: Solvation-Induced Helicity Inversion of Pseudotetrahedral Chiral Copper(II) Complexes.
• Authors of publication: Chamayou, Anne-Christine; Makhloufi, Gamall; Nafie, Laurence A.; Janiak, Christoph; Lüdeke, Steffen
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 2193
• a: 25.4616 ± 0.0014 Å
• b: 11.4944 ± 0.0005 Å
• c: 9.9551 ± 0.0005 Å
• α: 90°
• β: 112.315 ± 0.004°
• γ: 90°
• Cell volume: 2695.3 ± 0.2 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No