Information card for entry 7063184

Structure parameters

• Formula: C30 H24 Br4 N2 Ni O2
• Calculated formula: C30 H24 Br4 N2 Ni O2
• Title of publication: Synthesis, Crystal structure, Lipophilicity, Antioxidant, Binding interaction and Antibacterial investigation against Methicillin-Resistant Staphylococcus aureus of Ni(II) Schiff base complex: Combined Theoretical and Experimental Approaches
• Authors of publication: Samanta, Bidhan Chandra; Das, Arpita; Maity, Ribhu; Sarkar, Tuhin; Das, Priyanka; Brandão, Paula; Maity, Tithi; Sarkar, Keka
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 14.043 ± 0.0013 Å
• b: 10.9134 ± 0.001 Å
• c: 10.1076 ± 0.001 Å
• α: 90°
• β: 116.942 ± 0.003°
• γ: 90°
• Cell volume: 1380.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No