Information card for entry 7711882

Structure parameters

• Formula: C12 H15 Cl2 In N4 S
• Calculated formula: C12 H15 Cl2 In N4 S
• SMILES: [In]12(SC(=N[N]1=C(c1cccc[n]21)C)N1CCCC1)(Cl)Cl
• Title of publication: Designing a multitarget In(III) compound to overcome the resistance of lung cancer cells to cisplatin.
• Authors of publication: Jiang, Ming; Zhang, Juzheng; Xu, Shihang; Li, Yanping; Li, Wenjuan; Liang, Hong; Yang, Feng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 269 - 280
• a: 8.5919 ± 0.0004 Å
• b: 12.4526 ± 0.0006 Å
• c: 15.0859 ± 0.001 Å
• α: 90°
• β: 90.635 ± 0.006°
• γ: 90°
• Cell volume: 1613.96 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No