Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036142
Preview
Coordinates | 7036142.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | IrppyL1 |
---|---|
Chemical name | Iridium bisphenylpyridine bi-hexyl-5-fluorenyl- 1,10-phenanthroline hexafluorophosphate |
Formula | C59 H56 F6 Ir N4 P |
Calculated formula | C59 H56 F6 Ir N4 P |
Title of publication | A cyclometallated fluorenyl Ir(iii) complex as a potential sensitiser for two-photon excited photodynamic therapy (2PE-PDT). |
Authors of publication | Boreham, Elizabeth M.; Jones, Lucy; Swinburne, Adam N.; Blanchard-Desce, Mireille; Hugues, Vincent; Terryn, Christine; Miomandre, Fabien; Lemercier, Gilles; Natrajan, Louise S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 36 |
Pages of publication | 16127 - 16135 |
a | 13.5173 ± 0.0009 Å |
b | 20.6494 ± 0.0013 Å |
c | 20.9242 ± 0.0014 Å |
α | 102.854 ± 0.006° |
β | 97.805 ± 0.005° |
γ | 90.954 ± 0.005° |
Cell volume | 5634.7 ± 0.7 Å3 |
Cell temperature | 150.15 K |
Ambient diffraction temperature | 150.15 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1534 |
Residual factor for significantly intense reflections | 0.1099 |
Weighted residual factors for significantly intense reflections | 0.2557 |
Weighted residual factors for all reflections included in the refinement | 0.2906 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7036142.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.