Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7044482
Preview
Coordinates | 7044482.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H39 Cl3 F6 Ir N2 P |
---|---|
Calculated formula | C29 H39 Cl3 F6 Ir N2 P |
SMILES | [Ir]12345([N](c6c(C(C)C)cccc6C(C)C)=Cc6[n]1cccc6)(Cl)[c]1([c]3([c]2([c]5([c]41C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].ClCCl |
Title of publication | Novel half-sandwich iridium(III) imino-pyridyl complexes showing remarkable in vitro anticancer activity |
Authors of publication | Li, Juanjuan; Guo, Lihua; Tian, Zhenzhen; Tian, Meng; zhang, shumiao; Xu, Ke; Qian, Yuchuan; Liu, Zhe |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 14.8188 ± 0.001 Å |
b | 11.4372 ± 0.0008 Å |
c | 21.096 ± 0.0014 Å |
α | 90° |
β | 108.061 ± 0.001° |
γ | 90° |
Cell volume | 3399.3 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0576 |
Residual factor for significantly intense reflections | 0.0357 |
Weighted residual factors for significantly intense reflections | 0.0918 |
Weighted residual factors for all reflections included in the refinement | 0.1016 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7044482.html
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.