Information card for entry 4518425

Structure parameters

• Formula: C26 H18 Br2 N2 O2 Zn
• Calculated formula: C26 H18 Br2 N2 O2 Zn
• Title of publication: Active Bromoaniline‒Aldehyde Conjugate Systems and Their Complexes as Versatile Sensors of Multiple Cations with Logic Formulation and Efficient DNA/HSA-Binding Efficacy: Combined Experimental and Theoretical Approach
• Authors of publication: Das, Manik; Mukherjee, Somali; Brandao, Paula; Seth, Saikat Kumar; Giri, Santanab; Mati, Soumya Sundar; Samanta, Bidhan Chandra; Laha, Soumik; Maity, Tithi
• Journal of publication: ACS Omega
• Year of publication: 2021
• a: 21.738 ± 0.003 Å
• b: 9.0322 ± 0.0014 Å
• c: 11.888 ± 0.0018 Å
• α: 90°
• β: 96.105 ± 0.007°
• γ: 90°
• Cell volume: 2320.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0717
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No