Information card for entry 7709633

Structure parameters

• Formula: C20 H12 F2 N6 O4 Zn
• Calculated formula: C20 H12 F2 N6 O4 Zn
• SMILES: [Zn]1([n]2cccc3ccc4ccc[n]1c4c23)(N1C(=O)NC=C(F)C1=O)N1C(=O)NC=C(F)C1=O
• Title of publication: Novel 5-fluorouracil complexes of Zn(II) with pyridine-based ligands as potential anticancer agents
• Authors of publication: Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Erkisa, merve; Ulukaya, Engin
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.9142 ± 0.0019 Å
• b: 8.956 ± 0.002 Å
• c: 13.328 ± 0.003 Å
• α: 81.183 ± 0.019°
• β: 73.21 ± 0.019°
• γ: 67.59 ± 0.02°
• Cell volume: 940.6 ± 0.4 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 60 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1502
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No