Information card for entry 8105624

Structure parameters

• Formula: C22 H18 Cu N2 O4
• Calculated formula: C22 H18 Cu N2 O4
• SMILES: [Cu]123[N](c4c([N]1=Cc1ccc(OC)cc1O2)cccc4)=Cc1c(O3)cc(OC)cc1
• Title of publication: Crystal structure of ((5,5′-dimethoxy-2,2′-(1,2-phenylenebis(nitrilomethylidyne)))diphenolato-κ4 O,N,O′,N′)copper(II), C22H18N2CuO4
• Authors of publication: Ling, Zhao; Xin, Wang; Liguo, Yang; Linna, Gao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 2
• Pages of publication: 303 - 304
• a: 15.7861 ± 0.0011 Å
• b: 5.3211 ± 0.0004 Å
• c: 21.6563 ± 0.0016 Å
• α: 90°
• β: 92.129 ± 0.004°
• γ: 90°
• Cell volume: 1817.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0297
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No