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Information card for entry 4130523
Preview
| Coordinates | 4130523.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C146 H151 F42 N21 P7 |
|---|---|
| Calculated formula | C146 H151 F42 N21 P7 |
| 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 | 16.6492 ± 0.0007 Å |
| b | 19.7296 ± 0.0009 Å |
| c | 22.6647 ± 0.001 Å |
| α | 90° |
| β | 95.147 ± 0.003° |
| γ | 90° |
| Cell volume | 7414.9 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.99 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 | 0.0909 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.1523 |
| Weighted residual factors for all reflections included in the refinement | 0.1747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 240930 (current) | 2019-11-25 | cif/ Adding structures of 4130523 via cif-deposit CGI script. |
4130523.cif |
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Users of the data should acknowledge the original authors of the
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