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Information card for entry 7221026
Preview
Coordinates | 7221026.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H12 Cu F18 N4 P |
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Calculated formula | C24 H12 Cu F18 N4 P |
SMILES | [Cu]12([n]3c(C(F)(F)F)cccc3c3[n]1c(ccc3)C(F)(F)F)[n]1c(C(F)(F)F)cccc1c1[n]2c(ccc1)C(F)(F)F.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | The beneficial effects of trifluoromethyl-substituents on the photoconversion efficiency of copper(i) dyes in dye-sensitized solar cells |
Authors of publication | Brunner, Fabian; Klein, Y. Maximilian; Keller, Sarah; Morris, Collin D.; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E. |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
Journal volume | 5 |
Journal issue | 72 |
Pages of publication | 58694 |
a | 12.9418 ± 0.001 Å |
b | 13.3852 ± 0.0011 Å |
c | 15.8438 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2744.6 ± 0.4 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.037 |
Residual factor for significantly intense reflections | 0.0369 |
Weighted residual factors for all reflections | 0.1038 |
Weighted residual factors for significantly intense reflections | 0.1038 |
Weighted residual factors for all reflections included in the refinement | 0.1038 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0014 |
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/7221026.html
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