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Information card for entry 1555302
Preview
| Coordinates | 1555302.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H92 S14 |
|---|---|
| Calculated formula | C76 H92 S14 |
| Title of publication | Highly efficient fullerene and non-fullerene based ternary organic solar cells incorporating a new tetrathiocin-cored semiconductor |
| Authors of publication | Krishnan Jagadamma, Lethy; Taylor, Rupert G. D.; Kanibolotsky, Alexander L.; Sajjad, Muhammad Tariq; Wright, Iain A.; Horton, Peter N.; Coles, Simon J.; Samuel, Ifor D. W.; Skabara, Peter J. |
| Journal of publication | Sustainable Energy & Fuels |
| Year of publication | 2019 |
| Journal volume | 3 |
| Journal issue | 8 |
| Pages of publication | 2087 |
| a | 16.8658 ± 0.0008 Å |
| b | 24.1932 ± 0.0007 Å |
| c | 9.164 ± 0.0005 Å |
| α | 90° |
| β | 100.116 ± 0.005° |
| γ | 90° |
| Cell volume | 3681.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1299 |
| Residual factor for significantly intense reflections | 0.0688 |
| Weighted residual factors for significantly intense reflections | 0.1716 |
| Weighted residual factors for all reflections included in the refinement | 0.2043 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238447 (current) | 2019-11-24 | cif/ Adding structures of 1555302 via cif-deposit CGI script. |
1555302.cif |
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Users of the data should acknowledge the original authors of the
structural data.