Information card for entry 7062698

Structure parameters

• Formula: C19 H24 N2 Ni O4
• Calculated formula: C19 H24 N2 Ni O4
• SMILES: [Ni]12(Oc3ccc4ccccc4c3C=[N]1CC1[NH]2CCCC1)OC(=O)C.O
• Title of publication: DNA/HSA binding and anticancer properties of pendant acetate bearing mono-nuclear Ni(ii) and bridging acetate bearing di-nuclear Cu(ii) Schiff base complexes: an experimental and molecular docking study
• Authors of publication: Ari, Biman; Das, Manik; Brandao, Paola; Mukherjee, Somali; Jana, Atish Dipankar; Koley, Biplab; Laha, Soumik; Maidul Islam, Md.; Choudhuri, Indranil; Bhattacharya, Nandan; Samanta, Bidhan Chandra; Chattopadhyay, Nitin; Maity, Tithi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 38
• Pages of publication: 17881 - 17896
• a: 25.3032 ± 0.0011 Å
• b: 10.1898 ± 0.0004 Å
• c: 14.2632 ± 0.0006 Å
• α: 90°
• β: 96.766 ± 0.002°
• γ: 90°
• Cell volume: 3651.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No