Information card for entry 7711555

Structure parameters

• Formula: C16 H18 Cl2 F Mn N5 O2
• Calculated formula: C16 H18 Cl2 F Mn N5 O2
• 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: 11.961 ± 0.004 Å
• b: 8.17 ± 0.003 Å
• c: 20.759 ± 0.008 Å
• α: 90°
• β: 103.555 ± 0.011°
• γ: 90°
• Cell volume: 1972.1 ± 1.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0651
• 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: No
• Has Fobs: No