Information card for entry 4347612

Structure parameters

• Formula: C38 H32 N2 O2 Zn
• Calculated formula: C38 H32 N2 O2 Zn
• SMILES: [Zn]12(Oc3ccc4ccccc4c3C=[N]1[C@H](C)c1ccccc1)Oc1ccc3ccccc3c1C=[N]2[C@H](C)c1ccccc1
• 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: 9.4341 ± 0.0016 Å
• b: 9.4537 ± 0.0016 Å
• c: 18.85 ± 0.003 Å
• α: 88.25 ± 0.01°
• β: 80.07 ± 0.01°
• γ: 63.951 ± 0.009°
• Cell volume: 1485.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No