Information card for entry 7711881

Structure parameters

• Formula: C14 H13 Cl2 In N4 S
• Calculated formula: C14 H13 Cl2 In N4 S
• SMILES: [In]12(Cl)(SC(=N[N]1=C(c1[n]2cccc1)C)Nc1ccccc1)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: 7.4956 ± 0.0003 Å
• b: 8.4579 ± 0.0004 Å
• c: 13.7053 ± 0.0008 Å
• α: 103.089 ± 0.004°
• β: 97.971 ± 0.004°
• γ: 94.566 ± 0.004°
• Cell volume: 832.56 ± 0.07 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: 0.0422
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No