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Information card for entry 1544041
Preview
| Coordinates | 1544041.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Dithienylbenzenedithiophene bis(platinum bisacetylide) |
|---|---|
| Formula | C86 H126 P4 Pt2 S4 |
| Calculated formula | C86 H126 P4 Pt2 S4 |
| Title of publication | A “roller-wheel” Pt-containing small molecule that outperforms its polymer analogs in organic solar cells |
| Authors of publication | He, Wenhan; Livshits, Maksim Y.; Dickie, Diane A.; Yang, Jianzhong; Quinnett, Rachel; Rack, Jeffrey J.; Wu, Qin; Qin, Yang |
| Journal of publication | Chem. Sci. |
| Year of publication | 2016 |
| Journal volume | 7 |
| Journal issue | 9 |
| Pages of publication | 5798 |
| a | 12.7253 ± 0.0004 Å |
| b | 8.8911 ± 0.0003 Å |
| c | 37.7183 ± 0.0012 Å |
| α | 90° |
| β | 94.23 ± 0.002° |
| γ | 90° |
| Cell volume | 4255.9 ± 0.2 Å3 |
| Cell temperature | 99 ± 2 K |
| Ambient diffraction temperature | 99 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0796 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.0875 |
| Weighted residual factors for all reflections included in the refinement | 0.0986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186282 (current) | 2016-09-08 | cif/ Adding structures of 1544041 via cif-deposit CGI script. |
1544041.cif |
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