Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7236117
Preview
Coordinates | 7236117.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | bis(2,4,6-trifluorophenoxy) silicon phthalocyanine |
---|---|
Formula | C44 H20 F6 N8 O2 Si |
Calculated formula | C44 H20 F6 N8 O2 Si |
Title of publication | The position and frequency of fluorine atoms changes the electron donor/acceptor properties of fluorophenoxy silicon phthalocyanines within organic photovoltaic devices |
Authors of publication | Lessard, Benoît H.; Grant, Trevor M.; White, Robin; Thibau, Emmanuel; Lu, Zheng-Hong; Bender, Timothy P. |
Journal of publication | Journal of Materials Chemistry A |
Year of publication | 2015 |
Journal volume | 3 |
Journal issue | 48 |
Pages of publication | 24512 |
a | 9.6397 ± 0.0013 Å |
b | 19.771 ± 0.003 Å |
c | 10.0445 ± 0.001 Å |
α | 90° |
β | 118.661 ± 0.008° |
γ | 90° |
Cell volume | 1679.8 ± 0.4 Å3 |
Cell temperature | 147 ± 2 K |
Ambient diffraction temperature | 147 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0991 |
Residual factor for significantly intense reflections | 0.0657 |
Weighted residual factors for significantly intense reflections | 0.1583 |
Weighted residual factors for all reflections included in the refinement | 0.1755 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
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/7236117.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.