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Information card for entry 4130524
Preview
| Coordinates | 4130524.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H64.5 F24 N8.5 P4 |
|---|---|
| Calculated formula | C61 H64.5 F24 N8.5 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 | 13.8924 ± 0.0009 Å |
| b | 19.3041 ± 0.0011 Å |
| c | 28.5592 ± 0.0017 Å |
| α | 87.962 ± 0.004° |
| β | 83.733 ± 0.004° |
| γ | 75.084 ± 0.004° |
| Cell volume | 7356.5 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1754 |
| Residual factor for significantly intense reflections | 0.1187 |
| Weighted residual factors for significantly intense reflections | 0.3038 |
| Weighted residual factors for all reflections included in the refinement | 0.3391 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240931 (current) | 2019-11-25 | cif/ Adding structures of 4130524 via cif-deposit CGI script. |
4130524.cif |
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Users of the data should acknowledge the original authors of the
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