Information card for entry 7121054

Structure parameters

• Formula: C21 H18 Cl Cu N4 O S
• Calculated formula: C21 H18 Cl Cu N4 O S
• Title of publication: DNA interactions and <i>in vitro</i> anticancer evaluations of pyridine-benzimidazole-based Cu complexes.
• Authors of publication: Hu, Jiyong; Liao, Chunli; Mao, Ruina; Zhang, Junshuai; Zhao, Jin'an; Gu, Zhenzhen
• Journal of publication: MedChemComm
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 337 - 343
• a: 9.4142 ± 0.0008 Å
• b: 10.2389 ± 0.0008 Å
• c: 11.9095 ± 0.001 Å
• α: 87.064 ± 0.007°
• β: 67.901 ± 0.008°
• γ: 71.422 ± 0.007°
• Cell volume: 1005.13 ± 0.16 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No