Information card for entry 2022798

Structure parameters

• Chemical name: (1<i>H</i>-Imidazole-κ<i>N</i>^3^)[<i>N</i>-(2-oxidobenzylidene)tyrosinato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)
• Formula: C19 H17 Cu N3 O4
• Calculated formula: C19 H17 Cu N3 O4
• Title of publication: Crystal structure and Hirshfeld surface analysis of (1H-imidazole-κN 3)[N-(2-oxidobenzylidene)tyrosinato-κ3 O,N,O′]copper(II)
• Authors of publication: Suzuki, Soma; Akiyama, Yukihito; Nakane, Daisuke; Akitsu, Takashiro
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 7
• a: 5.5005 ± 0.0002 Å
• b: 12.1363 ± 0.0005 Å
• c: 26.147 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1745.46 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes