Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4326043
Preview
Coordinates | 4326043.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H38 B Cl2 Cu N4 O P2 |
---|---|
Calculated formula | C43 H38 B Cl2 Cu N4 O P2 |
SMILES | [Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3Oc3c([P]1(c1ccccc1)c1ccccc1)cccc3)[n]1n(ccc1)[BH2]n1[n]2ccc1.ClCCl |
Title of publication | Blue-Light Emission of Cu(I) Complexes and Singlet Harvesting |
Authors of publication | Rafał Czerwieniec; Jiangbo Yu; Hartmut Yersin |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 8293 - 8301 |
a | 9.2753 ± 0.0003 Å |
b | 12.2741 ± 0.0005 Å |
c | 18.3819 ± 0.0004 Å |
α | 85.541 ± 0.003° |
β | 89.87 ± 0.002° |
γ | 71.762 ± 0.003° |
Cell volume | 1981.02 ± 0.12 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0649 |
Residual factor for significantly intense reflections | 0.0513 |
Weighted residual factors for significantly intense reflections | 0.1302 |
Weighted residual factors for all reflections included in the refinement | 0.1385 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4326043.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.