Information card for entry 7064245

Structure parameters

• Formula: C16 H16 Cl2 Cu N4 O
• Calculated formula: C16 H16 Cl2 Cu N4 O
• 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: 8.2961 ± 0.0007 Å
• b: 13.6909 ± 0.0005 Å
• c: 14.6952 ± 0.0011 Å
• α: 89.989 ± 0.005°
• β: 88.45 ± 0.007°
• γ: 82.033 ± 0.006°
• Cell volume: 1652.4 ± 0.2 ų
• Cell temperature: 130 ± 1 K
• Ambient diffraction temperature: 130 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1373
• Residual factor for significantly intense reflections: 0.1322
• Weighted residual factors for significantly intense reflections: 0.3014
• Weighted residual factors for all reflections included in the refinement: 0.3031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No