Information card for entry 7701490

Structure parameters

• Formula: C28 H30 Cu N4 O6
• Calculated formula: C28 H30 Cu N4 O6
• 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: 8.218 ± 0.0005 Å
• b: 8.5732 ± 0.0006 Å
• c: 10.1631 ± 0.0009 Å
• α: 100.133 ± 0.006°
• β: 110.494 ± 0.006°
• γ: 98.773 ± 0.005°
• Cell volume: 642.21 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No