Information card for entry 7711879

Structure parameters

• Formula: C10 H13 Cl2 In N4 S
• Calculated formula: C10 H13 Cl2 In N4 S
• SMILES: [In]12(Cl)(SC(=N[N]1=C(c1[n]2cccc1)C)N(C)C)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: 8.8088 ± 0.0002 Å
• b: 8.9236 ± 0.0002 Å
• c: 10.4075 ± 0.0002 Å
• α: 66.806 ± 0.002°
• β: 84.288 ± 0.002°
• γ: 75.692 ± 0.002°
• Cell volume: 728.65 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0199
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No