Information card for entry 7709631

Structure parameters

• Formula: C23 H17 F2 N7 O5 Zn
• Calculated formula: C23 H17 F2 N7 O5 Zn
• SMILES: [Zn]12([n]3c(c4[n]1c(c1[n]2cccc1)ccc4)cccc3)(N1C(=O)NC(=O)C(F)=C1)N1C(=O)NC=C(F)C1=O.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: 9.3416 ± 0.0012 Å
• b: 11.2656 ± 0.0015 Å
• c: 12.8923 ± 0.0017 Å
• α: 107.595 ± 0.012°
• β: 107.564 ± 0.012°
• γ: 102.307 ± 0.011°
• Cell volume: 1161.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0678
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No