Information card for entry 7711592

Structure parameters

• Formula: C64.35 H81.05 Cl2 N12.35 Ni O26.7
• Calculated formula: C64.35 H81.05 Cl2 N12.35 Ni O26.7
• 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: 10.8136 ± 0.0003 Å
• b: 14.3149 ± 0.0004 Å
• c: 14.8173 ± 0.0005 Å
• α: 114.84 ± 0.003°
• β: 110.408 ± 0.003°
• γ: 95.136 ± 0.002°
• Cell volume: 1874.2 ± 0.13 ų
• Cell temperature: 136 ± 11 K
• Ambient diffraction temperature: 136 ± 11 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No