Information card for entry 4347613

Structure parameters

• Chemical name: bis{(S)-N-(p-methoxphenyl)ethyl-2-oxo-1-naphthaldiminato-κ^2^N,O}zinc(II)
• Formula: C40 H36 N2 O4 Zn
• Calculated formula: C40 H36 N2 O4 Zn
• SMILES: [Zn]12(Oc3c(c4ccccc4cc3)C=[N]1[C@@H](C)c1ccc(OC)cc1)Oc1c(c3ccccc3cc1)C=[N]2[C@@H](C)c1ccc(OC)cc1
• Title of publication: Synthesis, X-ray, and Spectroscopic Study of Dissymmetric Tetrahedral Zinc(II) Complexes from Chiral Schiff Base Naphthaldiminate Ligands with Apparent Exception to the ECD Exciton Chirality.
• Authors of publication: Enamullah, Mohammed; Makhloufi, Gamall; Ahmed, Rifat; Joy, Baitul Alif; Islam, Mohammad Ariful; Padula, Daniele; Hunter, Howard; Pescitelli, Gennaro; Janiak, Christoph
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 13
• Pages of publication: 6449 - 6464
• a: 12.0424 ± 0.0008 Å
• b: 18.9648 ± 0.0013 Å
• c: 15.3577 ± 0.001 Å
• α: 90°
• β: 108.771 ± 0.002°
• γ: 90°
• Cell volume: 3320.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0511
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No