Information card for entry 4349993

Structure parameters

• Formula: C18 H16 Cl Fe N10 O2 S2
• Calculated formula: C18 H16 Cl Fe N10 O2 S2
• Title of publication: An iron(iii) complex selectively mediated cancer cell death: crystal structure, DNA targeting and in vitro antitumor activities
• Authors of publication: Wu, Yi-Gang; Wang, Dong-Bo; Hu, Juan-Juan; Song, Xue-Qing; Xie, Cheng-Zhi; Ma, Zhong-Ying; Xu, Jing-Yuan
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 1040
• a: 11.625 ± 0.002 Å
• b: 17.263 ± 0.004 Å
• c: 14.828 ± 0.003 Å
• α: 90°
• β: 104.359 ± 0.004°
• γ: 90°
• Cell volume: 2882.8 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No