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Information card for entry 1557755
Preview
| Coordinates | 1557755.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C136 H116 N6 Zn |
|---|---|
| Calculated formula | C136 H116 N6 Zn |
| Title of publication | Structure‒Property Study of Homoleptic Zinc(II) Complexes of Di(arylethynyl) Azadipyrromethene as Nonfullerene Acceptors for Organic Photovoltaics: Effect of the Aryl Group |
| Authors of publication | Wang, Chunlai; Zhao, Muyuan; Rheingold, Arnold L.; Sauvé, Geneviève |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2020 |
| a | 38.495 ± 0.002 Å |
| b | 7.8252 ± 0.0005 Å |
| c | 36.789 ± 0.002 Å |
| α | 90° |
| β | 115.523 ± 0.004° |
| γ | 90° |
| Cell volume | 10000.5 ± 1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1293 |
| Residual factor for significantly intense reflections | 0.0905 |
| Weighted residual factors for significantly intense reflections | 0.2029 |
| Weighted residual factors for all reflections included in the refinement | 0.2257 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250513 (current) | 2020-04-09 | cif/ Adding structures of 1557755 via cif-deposit CGI script. |
1557755.cif |
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