Information card for entry 7246234

Structure parameters

• Formula: C28 H28 Cu F6 N6 O17 S2
• Calculated formula: C28 H28 Cu F6 N6 O17 S2
• SMILES: [Cu]12([OH2])(OS(=O)(=O)C(F)(F)F)([n]3c(cc(c(c3)C(=O)OC)C(=O)OC)c3[n]1ccnc3)[n]1c(c3[n]2ccnc3)cc(c(c1)C(=O)OC)C(=O)OC.S(=O)(=O)(C(F)(F)F)[O-].O.O
• Title of publication: Copper(ii) and silver(i) complexes with dimethyl 6-(pyrazine-2-yl)pyridine-3,4-dicarboxylate (py-2pz): the influence of the metal ion on the antimicrobial potential of the complex
• Authors of publication: Andrejević, Tina P.; Aleksic, Ivana; Kljun, Jakob; Počkaj, Marta; Zlatar, Matija; Vojnovic, Sandra; Nikodinovic-Runic, Jasmina; Turel, Iztok; Djuran, Miloš I.; Glišić, Biljana Đ.
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 4376 - 4393
• a: 8.2856 ± 0.0003 Å
• b: 12.1191 ± 0.0005 Å
• c: 19.2393 ± 0.0006 Å
• α: 82.105 ± 0.003°
• β: 86.22 ± 0.003°
• γ: 77.071 ± 0.003°
• Cell volume: 1863.83 ± 0.12 ų
• Cell temperature: 150.05 ± 0.1 K
• Ambient diffraction temperature: 150.05 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1249
• Residual factor for significantly intense reflections: 0.1091
• Weighted residual factors for significantly intense reflections: 0.2941
• Weighted residual factors for all reflections included in the refinement: 0.3109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No