Information card for entry 7064244

Structure parameters

• Formula: C18 H20 Cl2 Cu N4 O2
• Calculated formula: C18 H20 Cl2 Cu N4 O2
• Title of publication: Biomimetic O-demethylation at a copper(ii) center with imine ligand: a structural and computational study
• Authors of publication: Nowicka, Daria; Garbaczewski, Karol; Consiglio, Giuseppe; Forte, Giuseppe; Kubicki, Maciej; Łuczak, Teresa; Patroniak, Violetta; Gorczyński, Adam
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 3843 - 3856
• a: 14.4376 ± 0.0006 Å
• b: 8.0593 ± 0.0003 Å
• c: 16.8258 ± 0.0007 Å
• α: 90°
• β: 98.442 ± 0.004°
• γ: 90°
• Cell volume: 1936.59 ± 0.14 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• 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: 0.0539
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No