Information card for entry 7711589

Structure parameters

• Formula: C25 H28 Cu F6 N4 O8 S2
• Calculated formula: C25 H28 Cu F6 N4 O8 S2
• SMILES: [Cu]123([OH2])[n]4ccccc4C[N]1(Cc1cccc[n]21)CCC(=[O]3)N[C@H](c1ccccc1)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Tuning the coordination properties of chiral pseudopeptide bis(2-picolyl)amine and iminodiacetamide ligands in Zn(ii) and Cu(ii) complexes
• Authors of publication: Pantalon Juraj, Natalija; Tandarić, Tana; Tadić, Vanja; Perić, Berislav; Moreth, Dominik; Schatzschneider, Ulrich; Brozovic, Anamaria; Vianello, Robert; Kirin, Srećko I.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.54762 ± 0.0001 Å
• b: 11.11838 ± 0.00014 Å
• c: 34.2531 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3255.27 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No