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Information card for entry 1552717
Preview
| Coordinates | 1552717.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H28 F12 N4 P2 S2 |
|---|---|
| Calculated formula | C32 H28 F12 N4 P2 S2 |
| SMILES | [P](F)(F)(F)(F)(F)[F-].s1c2C[n+]3ccc(c4cc[n+](cc4)Cc4ccc(C[n+]5ccc(c6cc[n+](cc6)Cc1cc2)cc5)s4)cc3.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. |
| Authors of publication | Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser |
| Journal of publication | Chemical science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 1 |
| Pages of publication | 107 - 112 |
| a | 10.3821 ± 0.0005 Å |
| b | 21.5348 ± 0.0009 Å |
| c | 9.6558 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2158.81 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 99.98 K |
| Number of distinct elements | 6 |
| Space group number | 55 |
| Hermann-Mauguin space group symbol | P b a m |
| Hall space group symbol | -P 2 2ab |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1507 |
| Weighted residual factors for all reflections included in the refinement | 0.1561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248866 (current) | 2020-03-05 | cif/ Updating files of 1552713, 1552714, 1552715, 1552716, 1552717, 1552718, 1552719, 1552720, 1552721, 1552722 Original log message: Adding full bibliography for 1552713--1552722.cif. |
1552717.cif |
| 247628 | 2020-02-04 | cif/ Updating files of 1552713, 1552714, 1552715, 1552716, 1552717, 1552718, 1552719, 1552720, 1552721, 1552722 Original log message: Adding full bibliography for 1552713--1552722.cif. |
1552717.cif |
| 222243 | 2019-11-04 | cif/ Adding structures of 1552713, 1552714, 1552715, 1552716, 1552717, 1552718, 1552719, 1552720, 1552721, 1552722 via cif-deposit CGI script. |
1552717.cif |
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Users of the data should acknowledge the original authors of the
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