Information card for entry 4342455

Structure parameters

• Chemical name: Δ-Bis{(S)-N-(1-(4-methoxyphenyl)ethyl)salicylaldiminato- κ^2^N,O}copper(II)
• Formula: C32 H32 Cu N2 O4
• Calculated formula: C32 H32 Cu N2 O4
• SMILES: [Cu]12(Oc3ccccc3C=[N]1[C@@H](C)c1ccc(OC)cc1)Oc1ccccc1C=[N]2[C@@H](C)c1ccc(OC)cc1
• 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: 8.7218 ± 0.0017 Å
• b: 9.557 ± 0.002 Å
• c: 16.323 ± 0.003 Å
• α: 90°
• β: 90.428 ± 0.015°
• γ: 90°
• Cell volume: 1360.6 ± 0.5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No