Information card for entry 1513176

Structure parameters

• Formula: C22 H19 Cu N O4
• Calculated formula: C22 H19 Cu N O4
• Title of publication: Synthesis, crystal structure, spectroscopic, thermal, catechol oxidase and catalase-like studies: New copper(II) complexes of 2-benzoylbenzoate and 2-pyridilpropanol ligands
• Authors of publication: Sema Caglar; Ekrem Adiguzel; Bulent Caglar; Tuba Saykal; Ertan Sahin; Orhan Buyukgungor
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 397
• Pages of publication: 101 - 109
• a: 10.821 ± 0.005 Å
• b: 15.026 ± 0.005 Å
• c: 12.219 ± 0.005 Å
• α: 90 ± 0.005°
• β: 99.168 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1961.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0786
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No