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Information card for entry 4126589
Preview
| Coordinates | 4126589.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H60 Cu F10 N4 Pd |
|---|---|
| Calculated formula | C96 H60 Cu F10 N4 Pd |
| Title of publication | Hetero Cu(III)-Pd(II) Complex of a Dibenzo[g,p]chrysene-Fused Bis-dicarbacorrole with Stable Organic Radical Character. |
| Authors of publication | Ke, Xian-Sheng; Hong, Yongseok; Tu, Peiyu; He, Qing; Lynch, Vincent M.; Kim, Dongho; Sessler, Jonathan L. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 25.622 ± 0.006 Å |
| b | 12.955 ± 0.003 Å |
| c | 32.433 ± 0.007 Å |
| α | 90° |
| β | 94.853 ± 0.006° |
| γ | 90° |
| Cell volume | 10727 ± 4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1759 |
| Residual factor for significantly intense reflections | 0.1108 |
| Weighted residual factors for significantly intense reflections | 0.241 |
| Weighted residual factors for all reflections included in the refinement | 0.2908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201997 (current) | 2017-10-14 | cif/ Adding structures of 4126589 via cif-deposit CGI script. |
4126589.cif |
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