Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7711882
Preview
Coordinates | 7711882.cif |
---|---|
Original paper (by DOI) | HTML |
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 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/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 |
Revision | Date | Message | Files |
---|---|---|---|
283293 (current) | 2023-05-05 | cif/ Updating files of 7711878, 7711879, 7711880, 7711881, 7711882 Original log message: Adding full bibliography for 7711878--7711882.cif. |
7711882.cif |
279791 | 2022-12-08 | cif/ Adding structures of 7711878, 7711879, 7711880, 7711881, 7711882 via cif-deposit CGI script. |
7711882.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.