Information card for entry 1552748

Structure parameters

• Formula: C20 H28 Br2 Cu2 N2 O14 S2
• Calculated formula: C20 H28 Br2 Cu2 N2 O14 S2
• SMILES: COc1cc(cc2c1O[Cu]13([N](=C2)CCS(O1)(=O)=[O][Cu]12([N](=Cc4cc(cc(c4O1)OC)Br)CCS(O2)(=O)=[O]3)[OH2])[OH2])Br.O.O
• 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: 12.248 ± 0.003 Å
• b: 7.6422 ± 0.0018 Å
• c: 15.829 ± 0.004 Å
• α: 90°
• β: 104.923 ± 0.004°
• γ: 90°
• Cell volume: 1431.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0401
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No