Information card for entry 7055672

Structure parameters

• Formula: C19.5 H21 Cl2 N3 O0.5 Zn
• Calculated formula: C19.5 H21 Cl2 N3 O0.5 Zn
• SMILES: [Zn]12(Cl)(Cl)[n]3c(cccc3)C[N]1(c1ccc(C)cc1)Cc1[n]2cccc1.OC
• 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: 8.58 ± 0.0017 Å
• b: 13.601 ± 0.003 Å
• c: 16.75 ± 0.003 Å
• α: 84.1 ± 0.03°
• β: 84.02 ± 0.03°
• γ: 89.49 ± 0.03°
• Cell volume: 1933.7 ± 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: 0.1127
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No