Information card for entry 7056462

Structure parameters

• Formula: C16 H12 Cl Cu0.5 N2 S2
• Calculated formula: C16 H12 Cl Cu0.5 N2 S2
• Title of publication: Unpredicted formation of copper(ii) complexes containing 2-thiophen-2-yl-1-thiophen-2-ylmethyl-1H-benzoimidazole and their most promising in vitro cytotoxicity in MCF-7 and HeLa cell lines over cisplatin
• Authors of publication: Naveen, P.; Jain, Ruchi; Kalaivani, P.; Shankar, R.; Dallemer, F.; Prabhakaran, R.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 17
• Pages of publication: 8885 - 8898
• a: 10.6994 ± 0.0003 Å
• b: 16.2816 ± 0.0003 Å
• c: 9.3721 ± 0.0003 Å
• α: 90°
• β: 108.915 ± 0.003°
• γ: 90°
• Cell volume: 1544.49 ± 0.08 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.0497
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No