Information card for entry 7709100

Structure parameters

• Formula: C22 H18 Br Cl2 Cu N3 O2
• Calculated formula: C22 H18 Br Cl2 Cu N3 O2
• SMILES: Brc1c(O)c(ccc1)c1cc2[n]3[Cu](Cl)(Cl)([n]4c2cccc4)[n]2c(cccc2)c3c1.CO
• Title of publication: Terpyridine copper(II) complexes as potential anticancer agents by inhibiting cell proliferation, blocking the cell cycle and inducing apoptosis in BEL-7402 cells.
• Authors of publication: Gu, Yun-Qiong; Zhong, Yu-Jun; Hu, Mei-Qi; Li, Huan-Qing; Yang, Kun; Dong, Qi; Liang, Hong; Chen, Zhen-Feng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 5
• Pages of publication: 1968 - 1978
• a: 10.5612 ± 0.0005 Å
• b: 28.3386 ± 0.0012 Å
• c: 7.3454 ± 0.0003 Å
• α: 90°
• β: 97.741 ± 0.004°
• γ: 90°
• Cell volume: 2178.37 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0613
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No