Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7040342
Preview
Coordinates | 7040342.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H33 Br Cu O P3 |
---|---|
Calculated formula | C42 H33 Br Cu O P3 |
SMILES | Br[Cu]12[P](c3ccccc3)(c3c(P(c4ccccc4[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)=[O]2)cccc3)c1ccccc1 |
Title of publication | Adjustable coordination of a hybrid phosphine-phosphine oxide ligand in luminescent Cu, Ag and Au complexes. |
Authors of publication | Dau, Thuy Minh; Asamoah, Benjamin Darko; Belyaev, Andrey; Chakkaradhari, Gomathy; Hirva, Pipsa; Jänis, Janne; Grachova, Elena V.; Tunik, Sergey P.; Koshevoy, Igor O. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 36 |
Pages of publication | 14160 - 14173 |
a | 9.1856 ± 0.0003 Å |
b | 19.7157 ± 0.0006 Å |
c | 19.6397 ± 0.0006 Å |
α | 90° |
β | 93.38 ± 0.001° |
γ | 90° |
Cell volume | 3550.57 ± 0.19 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0758 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for significantly intense reflections | 0.0837 |
Weighted residual factors for all reflections included in the refinement | 0.0937 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
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/7040342.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.