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Information card for entry 1568456
Preview
| Coordinates | 1568456.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ITIC-Th |
|---|---|
| Formula | C88 H78 Br4 N4 O2 S8 |
| Calculated formula | C88 H78 Br4 N4 O2 S8 |
| Title of publication | Quantitative relationships between film morphology, charge carrier dynamics, and photovoltaic performance in bulk-heterojunction binary vs. ternary acceptor blends |
| Authors of publication | Zhu, Weigang; Li, Guoping; Mukherjee, Subhrangsu; Powers-Riggs, Natalia E.; Jones, Leighton O.; Gann, Eliot; Kline, R. Joseph; Herzing, Andrew; Logsdon, Jenna L.; Flagg, Lucas; Stern, Charlotte L.; Young, Ryan M.; Kohlstedt, Kevin L.; Schatz, George C.; DeLongchamp, Dean M.; Wasielewski, Michael R.; Melkonyan, Ferdinand S.; Facchetti, Antonio; Marks, Tobin J. |
| Journal of publication | Energy & Environmental Science |
| Year of publication | 2023 |
| Journal volume | 16 |
| Journal issue | 3 |
| Pages of publication | 1234 - 1250 |
| a | 8.7612 ± 0.0011 Å |
| b | 13.2409 ± 0.0016 Å |
| c | 17.624 ± 0.002 Å |
| α | 93.211 ± 0.006° |
| β | 98.646 ± 0.006° |
| γ | 97.221 ± 0.006° |
| Cell volume | 1999.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.041 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.1002 |
| Weighted residual factors for all reflections included in the refinement | 0.1024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282340 (current) | 2023-04-04 | cif/ Updating files of 1568456 Original log message: Adding full bibliography for 1568456.cif. |
1568456.cif |
| 281007 | 2023-02-20 | cif/ Adding structures of 1568456 via cif-deposit CGI script. |
1568456.cif |
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Users of the data should acknowledge the original authors of the
structural data.