Information card for entry 7712560

Structure parameters

• Formula: C19 H13 Cl Cu F N5 O2
• Calculated formula: C19 H13 Cl Cu F N5 O2
• SMILES: [Cu]12(Cl)(N3C(=O)NC(=O)C(F)=C3)[n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1
• Title of publication: Water-soluble copper(II) 5-fluorouracil complexes bearing polypyridyl co-ligands: Synthesis, structures and anticancer activity
• Authors of publication: Icsel, Ceyda; Yilmaz, Veysel T.; Aygün, Muhittin; Erkisa, Merve; Ulukaya, Engin
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.6071 ± 0.0009 Å
• b: 13.0317 ± 0.0014 Å
• c: 12.3107 ± 0.0011 Å
• α: 90°
• β: 91.472 ± 0.008°
• γ: 90°
• Cell volume: 1861.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0679
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No