Information card for entry 7704571

Structure parameters

• Formula: C30 H24 Cl4 Cu N2 O2
• Calculated formula: C30 H24 Cl4 Cu N2 O2
• SMILES: [Cu]12(Oc3c(C=[N]1[C@@H](C)c1ccccc1)cc(Cl)cc3Cl)Oc1c(C=[N]2[C@@H](C)c2ccccc2)cc(Cl)cc1Cl
• Title of publication: Solid-state to solution helicity inversion of pseudotetrahedral chiral copper(ii) complexes with 2,4-dihalo-salicylaldiminate ligands.
• Authors of publication: Kordestani, Nazanin; Amiri Rudbari, Hadi; Bruno, Giuseppe; Rosario, Scopelliti; Braun, Jason D.; Herbert, David E.; Blacque, Olivier; Correia, Isabel; Zaman, Mohammad Al-Moktadir; Bindu, Mortuza Mamun; Janiak, Christoph; Enamullah, Mohammed
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 24
• Pages of publication: 8247 - 8264
• a: 8.57142 ± 0.00006 Å
• b: 14.70541 ± 0.00011 Å
• c: 11.09232 ± 0.00008 Å
• α: 90°
• β: 97.2834 ± 0.0007°
• γ: 90°
• Cell volume: 1386.86 ± 0.018 ų
• Cell temperature: 140.01 ± 0.1 K
• Ambient diffraction temperature: 140.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No