Information card for entry 7711552

Structure parameters

• Formula: C57 H48 Br4 N24 Ni2 O15
• Calculated formula: C57 H48 Br4 N24 Ni2 O15
• Title of publication: Transition metal(ii) complexes of halogenated derivatives of (E)-4-(2-(pyridin-2-ylmethylene)hydrazinyl)quinazoline: structure, antioxidant activity, DNA-binding DNA photocleavage, interaction with albumin and in silico studies
• Authors of publication: Kakoulidou, Chrisoula; Chasapis, Christos T.; Hatzidimitriou, Antonios G.; Fylaktakidou, Konstantina C.; Psomas, George
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 20.3724 ± 0.0017 Å
• b: 10.6925 ± 0.0009 Å
• c: 15.743 ± 0.0013 Å
• α: 90°
• β: 95.85 ± 0.002°
• γ: 90°
• Cell volume: 3411.5 ± 0.5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0584
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No