Information card for entry 7701485

Structure parameters

• Formula: C26 H22 Cu N4 O4
• Calculated formula: C26 H22 Cu N4 O4
• 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: 13.678 ± 0.002 Å
• b: 12.3462 ± 0.0017 Å
• c: 14.989 ± 0.003 Å
• α: 90°
• β: 116.006 ± 0.013°
• γ: 90°
• Cell volume: 2274.9 ± 0.7 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: 0.1038
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No