Information card for entry 4342448

Structure parameters

• Chemical name: Δ-Bis{(R)-N-(1-phenylethyl)salicylaldiminato- κ^2^N,O}copper(II)
• Formula: C30 H28 Cu N2 O2
• Calculated formula: C30 H28 Cu N2 O2
• SMILES: [Cu]12(Oc3ccccc3C=[N]1[C@H](C)c1ccccc1)Oc1ccccc1C=[N]2[C@H](C)c1ccccc1
• 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: 8.816 ± 0.005 Å
• b: 16.253 ± 0.01 Å
• c: 17.647 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2529 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No