Information card for entry 7711590

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: 8.61725 ± 0.00019 Å
• b: 9.0624 ± 0.0002 Å
• c: 11.6675 ± 0.0003 Å
• α: 109.288 ± 0.002°
• β: 95.2123 ± 0.0017°
• γ: 103.576 ± 0.0019°
• Cell volume: 821.78 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No