Information card for entry 1552750

Structure parameters

• Formula: C23 H22 Br Cu N3 O6 S
• Calculated formula: C23 H22 Br Cu N3 O6 S
• SMILES: Brc1cc(OC)c2O[Cu]34(OS(=O)(=O)CC[N]3=Cc2c1)[n]1cccc2ccc3ccc[n]4c3c12.CO
• Title of publication: Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis.
• Authors of publication: Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 92 - 103
• a: 15.516 ± 0.008 Å
• b: 13.3471 ± 0.0007 Å
• c: 11.7999 ± 0.0009 Å
• α: 90°
• β: 100.625 ± 0.019°
• γ: 90°
• Cell volume: 2401.8 ± 1.3 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: 0.1061
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No