Information card for entry 7709765

Structure parameters

• Formula: C16 H14 Au Cl3 F3 N5 O
• Calculated formula: C16 H14 Au Cl3 F3 N5 O
• SMILES: [Au](Cl)(Cl)(Cl)[n]1cnn(c1)C[C@](O)(c1ccc(F)cc1F)[C@@H](C)c1ncncc1F
• Title of publication: Clinically used antifungal azoles as ligands for gold(iii) complexes: the influence of the Au(iii) ion on the antimicrobial activity of the complex
• Authors of publication: Stevanović, Nevena Lj.; Kljun, Jakob; Aleksic, Ivana; Bogojevic, Sanja Skaro; Milivojevic, Dusan; Veselinovic, Aleksandar; Turel, Iztok; Djuran, Miloš I.; Nikodinovic-Runic, Jasmina; Glišić, Biljana Đ.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 12.1732 ± 0.0006 Å
• b: 5.8139 ± 0.0002 Å
• c: 15.0734 ± 0.0007 Å
• α: 90°
• β: 100.004 ± 0.005°
• γ: 90°
• Cell volume: 1050.58 ± 0.08 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No