Information card for entry 7062699

Structure parameters

• Formula: C38 H44 Cu2 N4 O6
• Calculated formula: C38 H44 Cu2 N4 O6
• 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: 8.1127 ± 0.0013 Å
• b: 8.7712 ± 0.0016 Å
• c: 12.748 ± 0.002 Å
• α: 76.745 ± 0.007°
• β: 74.503 ± 0.006°
• γ: 82.353 ± 0.006°
• Cell volume: 848.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No