Information card for entry 7711591

Structure parameters

• Formula: C58 H68 Cu F6 N8 O14 S2
• Calculated formula: C58 H64 Cu F6 N8 O14 S2
• 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: 19.2084 ± 0.0004 Å
• b: 10.2197 ± 0.0003 Å
• c: 19.4085 ± 0.0006 Å
• α: 90°
• β: 104.758 ± 0.003°
• γ: 90°
• Cell volume: 3684.28 ± 0.18 ų
• Cell temperature: 150 ± 0.14 K
• Ambient diffraction temperature: 150 ± 0.14 K
• Number of distinct elements: 7
• Space group number: 3
• Hermann-Mauguin space group symbol: P 1 2 1
• Hall space group symbol: P 2y
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.2806
• Weighted residual factors for all reflections included in the refinement: 0.2961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No