Information card for entry 7711593

Structure parameters

• Formula: C64 H80 Cl2 Cu N12 O26
• Calculated formula: C64 H80 Cl2 Cu N12 O26
• 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: 10.6841 ± 0.0002 Å
• b: 24.5941 ± 0.0005 Å
• c: 14.2949 ± 0.0003 Å
• α: 90°
• β: 100.679 ± 0.002°
• γ: 90°
• Cell volume: 3691.16 ± 0.13 ų
• Cell temperature: 113 ± 3 K
• Ambient diffraction temperature: 113 ± 3 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.2077
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No