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Information card for entry 7711880
Preview
Coordinates | 7711880.cif |
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Original paper (by DOI) | HTML |
Formula | C9 H11 Cl2 In N4 S |
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Calculated formula | C9 H11 Cl2 In N4 S |
SMILES | [In]12(Cl)(SC(=N[N]2=C(c2cccc[n]12)C)NC)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 | 9.2963 ± 0.0004 Å |
b | 13.7922 ± 0.0006 Å |
c | 10.8317 ± 0.0005 Å |
α | 90° |
β | 100.011 ± 0.004° |
γ | 90° |
Cell volume | 1367.66 ± 0.11 Å3 |
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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0515 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.0804 |
Weighted residual factors for all reflections included in the refinement | 0.0879 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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