Information card for entry 4326833

Structure parameters

• Chemical name: Δ-Bis{(S)-N-(1-(4-chlorophenyl)ethyl)salicylaldiminato- κ^2^N,O}zinc(II)
• Formula: C30 H26 Cl2 N2 O2 Zn
• Calculated formula: C30 H26 Cl2 N2 O2 Zn
• SMILES: [Zn]12([N](=Cc3c(O1)cccc3)[C@@H](C)c1ccc(Cl)cc1)[N](=Cc1c(O2)cccc1)[C@@H](C)c1ccc(Cl)cc1
• Title of publication: Chirality and Diastereoselection of Δ/Λ-Configured Tetrahedral Zinc Complexes through Enantiopure Schiff Base Complexes: Combined Vibrational Circular Dichroism, Density Functional Theory, 1H NMR, and X-ray Structural Studies
• Authors of publication: Anne-Christine Chamayou; Steffen Lüdeke; Volker Brecht; Teresa B. Freedman; Laurence A. Nafie; Christoph Janiak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11363 - 11374
• a: 9.859 ± 0.002 Å
• b: 10.464 ± 0.002 Å
• c: 26.47 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2730.8 ± 0.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• 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: 0.081
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No