Information card for entry 7055671

Structure parameters

• Formula: C19.5 H21 Br2 N3 O0.5 Zn
• Calculated formula: C19.5 H21 Br2 N3 O0.5 Zn
• SMILES: CO.Br[Zn]12(Br)[n]3c(cccc3)C[N]2(c2ccc(cc2)C)Cc2[n]1cccc2
• Title of publication: Two dpa-based zinc(ii) complexes as potential anticancer agents: nuclease activity, cytotoxicity and apoptosis studies
• Authors of publication: Zhang, Yong-Po; Ma, Zhong-Ying; Gao, Chun-Yan; Qiao, Xin; Tian, Jin-Lei; Gu, Wen; Liu, Xin; Xu, Jing-Yuan; Zhao, Jin-Zhong; Yan, Shi-Ping
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 9
• Pages of publication: 7513
• a: 8.779 ± 0.0018 Å
• b: 13.826 ± 0.003 Å
• c: 17.18 ± 0.003 Å
• α: 83.27 ± 0.03°
• β: 83.26 ± 0.03°
• γ: 88.18 ± 0.03°
• Cell volume: 2056.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1318
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No