Information card for entry 7118058

Structure parameters

• Formula: C20 H18 Br2 N2 O4 Zn
• Calculated formula: C20 H18 Br2 N2 O4 Zn
• SMILES: c12ccc[n]3c1c(ccc2Br)O[Zn]13([OH]C)([n]2cccc3c(ccc(c23)O1)Br)[OH]C
• Title of publication: Cytotoxicity, DNA binding and cell apoptosis induction of a zinc(ii) complex of HBrQ
• Authors of publication: Zhang, Hai-Rong; Liu, Yan-Cheng; Meng, Ting; Qin, Qi-Pin; Tang, Shang-Feng; Chen, Zhen-Feng; Zou, Bi-Qun; Liu, You-Nian; Liang, Hong
• Journal of publication: Med. Chem. Commun.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 2224
• a: 5.06412 ± 0.00019 Å
• b: 18.1609 ± 0.0012 Å
• c: 11.4569 ± 0.0004 Å
• α: 90°
• β: 97.646 ± 0.004°
• γ: 90°
• Cell volume: 1044.31 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0887
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No