Information card for entry 2021591

Structure parameters

• Chemical name: [(<i>E</i>)-2-({[2-(Diethylamino)ethyl]imino}methyl)phenolato-κ^3^<i>N</i>,<i>N</i>',<i>O</i>](2-phenylacetato-κ^2^<i>O</i>,<i>O</i>')copper(II)
• Formula: C21 H26 Cu N2 O3
• Calculated formula: C21 H26 Cu N2 O3
• SMILES: [Cu]123(Oc4ccccc4C=[N]2CC[N]3(CC)CC)OC(=[O]1)Cc1ccccc1
• Title of publication: The crystal and molecular structures of three copper-containing complexes and their activities in mimicking galactose oxidase
• Authors of publication: Dimeska, Roza; Wikaira, Jan; Mockler, Garry M.; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 5
• Pages of publication: 538 - 544
• a: 23.1862 ± 0.001 Å
• b: 6.4178 ± 0.0003 Å
• c: 13.1598 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1958.24 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes