Information card for entry 1513175

Structure parameters

• Common name: bis(2-benzoylbenzoato)bis(2-pyridilpropanol)copper(II)
• Formula: C44 H40 Cu N2 O8
• Calculated formula: C44 H40 Cu N2 O8
• SMILES: [Cu](OC(=O)c1ccccc1C(=O)c1ccccc1)(OC(=O)c1ccccc1C(=O)c1ccccc1)([n]1ccccc1CCCO)[n]1ccccc1CCCO
• 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: 8.4849 ± 0.0004 Å
• b: 10.2733 ± 0.0004 Å
• c: 11.8111 ± 0.0005 Å
• α: 89.973 ± 0.003°
• β: 90.088 ± 0.004°
• γ: 111.135 ± 0.003°
• Cell volume: 960.29 ± 0.07 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No