Information card for entry 7055673

Structure parameters

• Formula: C19 H19 Cl N3 O1.5
• Calculated formula: C19 H19 Cl N3 O1.5
• SMILES: n1ccccc1CN(c1ccc(cc1)C)Cc1[nH+]cccc1.[Cl-].O.O
• 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: 11.813 ± 0.002 Å
• b: 12.191 ± 0.002 Å
• c: 13.301 ± 0.003 Å
• α: 89.36 ± 0.03°
• β: 87.62 ± 0.03°
• γ: 78.82 ± 0.03°
• Cell volume: 1877.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.1949
• Weighted residual factors for all reflections included in the refinement: 0.2168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No