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Information card for entry 7711881
Preview
Coordinates | 7711881.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H13 Cl2 In N4 S |
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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 Å3 |
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 |
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