Information card for entry 7058270

Structure parameters

• Chemical name: bis[2-methoxy-6-(thiophen-2-ylmethyliminomethyl)phenolate]copper(II)
• Formula: C26 H24 Cu N2 O4 S2
• Calculated formula: C26 H24 Cu N2 O4 S2
• Title of publication: Cu(ii) and Zn(ii) complexes with a poly-functional ligand derived from o-vanillin and thiophene. Crystal structure, physicochemical properties, theoretical studies and cytotoxicity assays against human breast cancer cells
• Authors of publication: Rodríguez, María R.; Del Plá, Julián; Balsa, Lucía M.; León, Ignacio E.; Piro, Oscar E.; Echeverría, Gustavo A.; García-Tojal, Javier; Pis-Diez, Reinaldo; Parajón-Costa, Beatriz S.; González-Baró, Ana C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 18
• Pages of publication: 7120
• a: 5.2558 ± 0.0003 Å
• b: 10.5965 ± 0.0005 Å
• c: 11.1192 ± 0.0005 Å
• α: 99.818 ± 0.004°
• β: 91.255 ± 0.004°
• γ: 102.935 ± 0.004°
• Cell volume: 593.54 ± 0.05 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No