Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4325470
Preview
Coordinates | 4325470.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H27 Ir N4 O2 |
---|---|
Calculated formula | C37 H27 Ir N4 O2 |
SMILES | [Ir]123(Oc4ccccc4c4oc5ccccc5[n]14)([n]1c(c4c2cccc4)cccc1)[n]1c(c2c3cccc2)cccc1.N#CC |
Title of publication | Phosphorescent Iridium(III) Complex with an N^O Ligand as a Hg2±Selective Chemodosimeter and Logic Gate |
Authors of publication | Yi Liu; Meiyi Li; Qiang Zhao; Huazhou Wu; Kewei Huang; Fuyou Li |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 5969 - 5977 |
a | 8.9186 ± 0.0009 Å |
b | 10.4896 ± 0.001 Å |
c | 16.9431 ± 0.0016 Å |
α | 103.388 ± 0.002° |
β | 97.092 ± 0.002° |
γ | 106.612 ± 0.002° |
Cell volume | 1446.7 ± 0.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0399 |
Residual factor for significantly intense reflections | 0.0353 |
Weighted residual factors for significantly intense reflections | 0.0785 |
Weighted residual factors for all reflections included in the refinement | 0.0819 |
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/4325470.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.