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Information card for entry 7113319
Preview
Coordinates | 7113319.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39 H27 Cl2 F6 Ir N5 P S2 |
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Calculated formula | C39 H27 Cl2 F6 Ir N5 P S2 |
SMILES | [P](F)(F)(F)(F)(F)[F-].c1cccc2c3c(ccs3)[Ir]34([n]12)([n]1c2ccccc2ccc1c1[n]3ccc2c3ccccc3[nH]c12)c1c(scc1)c1[n]4cccc1.ClCCl |
Title of publication | Cyclometalated iridium(III)-beta-carboline complexes as potent autophagy-inducing agents |
Authors of publication | Liang He; Si-Yan Liao; Cai-Ping Tan; Yi-Ying Lu; Cui-Xia Xu; Liang-Nian Ji; Zong-Wan Mao |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 5611 |
a | 11.6899 ± 0.0003 Å |
b | 34.815 ± 0.0008 Å |
c | 10.7405 ± 0.0003 Å |
α | 90° |
β | 110.59 ± 0.003° |
γ | 90° |
Cell volume | 4092 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0419 |
Residual factor for significantly intense reflections | 0.0341 |
Weighted residual factors for significantly intense reflections | 0.0732 |
Weighted residual factors for all reflections included in the refinement | 0.0766 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
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/7113319.html
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Users of the data should acknowledge the original authors of the
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