Information card for entry 7709195

Structure parameters

• Formula: C30 H24 Cl4 N2 O2 Zn
• Calculated formula: C30 H24 Cl4 N2 O2 Zn
• SMILES: c12c(cc(cc1C=[N]([C@@H](c1ccccc1)C)[Zn]1(O2)[N](=Cc2c(c(cc(c2)Cl)Cl)O1)[C@@H](c1ccccc1)C)Cl)Cl
• Title of publication: Pseudotetrahedral Zn(II)-(R or S)-dihalogen-salicylaldiminato complexes with Λ- or Δ-chirality induction at-metal
• Authors of publication: Amiri Rudbari, Hadi; Saadati, Arezoo; Ariaeefar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Janiak, Christoph; Enamullah, Mohammed
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.08126 ± 0.00012 Å
• b: 10.86962 ± 0.00012 Å
• c: 12.7656 ± 0.00016 Å
• α: 90°
• β: 106.563 ± 0.0013°
• γ: 90°
• Cell volume: 1340.81 ± 0.03 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0192
• Residual factor for significantly intense reflections: 0.0189
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No