Information card for entry 7063209

Structure parameters

• Formula: C16 H14 N2 Ni O2
• Calculated formula: C16 H14 N2 Ni O2
• SMILES: [Ni]123Oc4ccccc4C=[N]2CC[N]3=Cc2c(cccc2)O1
• 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: 7.465 ± 0.0014 Å
• b: 13.788 ± 0.003 Å
• c: 26.074 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2683.7 ± 0.9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No