Information card for entry 4342453

Structure parameters

• Chemical name: Λ-Bis{(S)-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: [Cu]12([N](=Cc3c(O2)cccc3)[C@@H](C)c2ccc(cc2)Cl)Oc2ccccc2C=[N]1[C@H](c1ccc(cc1)Cl)C
• 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: 25.4474 ± 0.0009 Å
• b: 11.4921 ± 0.0004 Å
• c: 9.9626 ± 0.0004 Å
• α: 90°
• β: 112.258 ± 0.001°
• γ: 90°
• Cell volume: 2696.41 ± 0.17 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: 0.041
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No