Information card for entry 7220198

Structure parameters

• Formula: C14 H8 Cl2 Cu O4
• Calculated formula: C14 H8 Cl2 Cu O4
• SMILES: c12c(O[Cu]3([O]=C2)Oc2c(cc(cc2)Cl)C=[O]3)ccc(c1)Cl
• Title of publication: Copper(II) complexes of salicylaldehydes and 2-hydroxyphenones: Synthesis, Structure, Thermal decomposition study and Interaction with calf‒thymus DNA and albumins.
• Authors of publication: Zianna, Ariadne; Psomas, George L.; Hatzidimitriou, Antonios; Lalia-Kantouri, Maria
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 13.7347 ± 0.001 Å
• b: 3.8442 ± 0.0003 Å
• c: 12.4921 ± 0.0009 Å
• α: 90°
• β: 102.258 ± 0.003°
• γ: 90°
• Cell volume: 644.53 ± 0.08 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.1108
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9974
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No