Information card for entry 7701488

Structure parameters

• Formula: C26 H22 N4 O4 Zn
• Calculated formula: C26 H22 N4 O4 Zn
• Title of publication: Cu/Zn heterometallic complex with solvent-binding cavity, catalytic activity for oxidation of 1-phenylethanol and unusual magnetic properties
• Authors of publication: Mielcarek, Agnieszka; Bieńko, Alina; Saramak, Paulina; Jezierska, Julia; Dołęga, Anna
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 12.7455 ± 0.0016 Å
• b: 15.144 ± 0.0014 Å
• c: 12.909 ± 0.0017 Å
• α: 90°
• β: 113.752 ± 0.01°
• γ: 90°
• Cell volume: 2280.6 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No