Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7040571
Preview
Coordinates | 7040571.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C71 H70 Cu F6 I2 N2 O3 P3 |
---|---|
Calculated formula | C71 H70 Cu F6 I2 N2 O3 P3 |
SMILES | c1(ccccc1)[P]1(c2ccccc2)c2cccc3c2Oc2c(C3(C)C)cccc2[P](c2ccccc2)(c2ccccc2)[Cu]21[n]1c(C)cc(cc1c1cc(cc(C)[n]21)c1ccc(cc1)I)c1ccc(cc1)I.CCOCC.CCOCC.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Peripheral halo-functionalization in [Cu(N^N)(P^P)](+) emitters: influence on the performances of light-emitting electrochemical cells. |
Authors of publication | Brunner, Fabian; Martínez-Sarti, Laura; Keller, Sarah; Pertegás, Antonio; Prescimone, Alessandro; Constable, Edwin C.; Bolink, Henk J.; Housecroft, Catherine E. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 38 |
Pages of publication | 15180 - 15192 |
a | 10.8361 ± 0.0006 Å |
b | 16.869 ± 0.001 Å |
c | 19.1696 ± 0.0011 Å |
α | 74.934 ± 0.002° |
β | 88.594 ± 0.002° |
γ | 79.074 ± 0.002° |
Cell volume | 3321.2 ± 0.3 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 | 0.0466 |
Residual factor for significantly intense reflections | 0.0455 |
Weighted residual factors for all reflections | 0.0949 |
Weighted residual factors for significantly intense reflections | 0.0948 |
Weighted residual factors for all reflections included in the refinement | 0.0949 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.8865 |
Diffraction radiation wavelength | 1.54178 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/7040571.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.