Information card for entry 7222283

Structure parameters

• Formula: C16 H20 Cl Cu N3 O7
• Calculated formula: C16 H20 Cl Cu N3 O7
• SMILES: [Cu]12([N](=C(C3=C(O1)C=C(OC3=O)C)C)CC([NH2]2)C)[n]1ccccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: A novel unsymmetrical tetradentate copper (II)-Schiff base complex: Synthesis, Crystal structure, Electrochemical, Morphological and Electrocatalytic behaviors towards electroreduction of alkyl and aryl halides
• Authors of publication: AGGOUN, Djouhra; OURARI, Ali; DERAFA, Wassila
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.051 Å
• b: 15.58 Å
• c: 21.736 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3742.39 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No