Information card for entry 7711553

Structure parameters

• Formula: C14 H10 Cl2 Cu F N5
• Calculated formula: C14 H10 Cl2 Cu F N5
• SMILES: [Cu]12(Cl)(Cl)[N]3=CNc4ccccc4C3=N[N]1=Cc1[n]2cccc1F
• 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: 7.802 ± 0.004 Å
• b: 14.426 ± 0.009 Å
• c: 13.723 ± 0.008 Å
• α: 90°
• β: 94.399 ± 0.015°
• γ: 90°
• Cell volume: 1540 ± 1.5 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• 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: 0.0767
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0772
• 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