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Information card for entry 4130521
Preview
| Coordinates | 4130521.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H62 F24 N7 P4 |
|---|---|
| Calculated formula | C59 H62 F24 N7 P4 |
| Title of publication | Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes. |
| Authors of publication | Cheng, Chuyang; Cheng, Tao; Xiao, Hai; Krzyaniak, Matthew D.; Wang, Yuping; McGonigal, Paul R.; Frasconi, Marco; Barnes, Jonathan C.; Fahrenbach, Albert C.; Wasielewski, Michael R.; Goddard, 3rd, William A; Stoddart, J. Fraser |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 26 |
| Pages of publication | 8288 - 8300 |
| a | 16.64 ± 0.004 Å |
| b | 16.71 ± 0.003 Å |
| c | 17.16 ± 0.004 Å |
| α | 75.037 ± 0.013° |
| β | 70.814 ± 0.013° |
| γ | 62.956 ± 0.014° |
| Cell volume | 3980 ± 1.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.02 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1916 |
| Residual factor for significantly intense reflections | 0.1078 |
| Weighted residual factors for significantly intense reflections | 0.2756 |
| Weighted residual factors for all reflections included in the refinement | 0.3129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.929 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240928 (current) | 2019-11-25 | cif/ Adding structures of 4130521 via cif-deposit CGI script. |
4130521.cif |
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Users of the data should acknowledge the original authors of the
structural data.