Information card for entry 7063208

Structure parameters

• Formula: C20 H14 N2 Ni O2
• Calculated formula: C20 H14 N2 Ni O2
• SMILES: [Ni]123Oc4ccccc4C=[N]3c3ccccc3[N]2=Cc2ccccc2O1
• Title of publication: A comparative study on the synthesis and crystal structures of Ni(ii) complexes bearing tetradentate N2O2 donor Schiff bases: biomolecular interactions, cytotoxicities and molecular docking
• Authors of publication: İnci Özbağcı, Duygu; İlkar Erdağı, Sevinç; Aydın, İpek; Aydın, Rahmiye; Zorlu, Yunus; Arı, Ferda
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 23
• Pages of publication: 10475 - 10496
• a: 5.4386 ± 0.0012 Å
• b: 16.592 ± 0.004 Å
• c: 17.27 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1558.4 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.0765
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No