Information card for entry 7063889

Structure parameters

• Formula: C32 H46 Br2 N12 Ni2 O4
• Calculated formula: C32 H46 Br2 N12 Ni2 O4
• Title of publication: Experimental and theoretical studies on piperidine-based heteroleptic Schiff base Ni(ii) and Cu(ii) complexes investigating DNA/protein binding and anticancer activities
• Authors of publication: Ari, Biman; Das, Manik; Mukherjee, Somali; Basak, Deblina; Bera, Analava; Biswas, Arunima; Kundu, Pronab; Brandao, Paola; Mondal, Shrabani; Samanta, Bidhan Chandra; Maity, Tithi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 31
• Pages of publication: 13446 - 13462
• a: 10.6529 ± 0.0007 Å
• b: 21.2436 ± 0.0013 Å
• c: 8.6654 ± 0.0006 Å
• α: 90°
• β: 90.147 ± 0.003°
• γ: 90°
• Cell volume: 1961 ± 0.2 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No