Information card for entry 7711556

Structure parameters

• Formula: C15 H16 Cd F N7 O8
• Calculated formula: C15 H16 Cd F N7 O8
• SMILES: [Cd]123([N]4=CNc5ccccc5C4=N[N]1=Cc1[n]2cccc1F)([O]=N(=O)O3)([OH]C)[OH2].N(=O)(=O)[O-]
• 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: 13.149 ± 0.006 Å
• b: 15.905 ± 0.007 Å
• c: 19.736 ± 0.009 Å
• α: 90°
• β: 97.53 ± 0.02°
• γ: 90°
• Cell volume: 4092 ± 3 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: 0.0429
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No