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Information card for entry 1564607
Preview
| Coordinates | 1564607.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | DES7-21 |
|---|---|
| Formula | C63 H75 B N8 O4 Zn |
| Calculated formula | C63 H75 B N8 O4 Zn |
| Title of publication | Chromophore-Radical Excited State Antiferromagnetic Exchange Controls the Sign of Photoinduced Ground State Spin Polarization |
| Authors of publication | Kirk, Martin; Shultz, David; Hewitt, Patrick; Stasiw, Daniel; Chen, Ju; van der Est, Art |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 14.4507 ± 0.0007 Å |
| b | 18.2789 ± 0.0007 Å |
| c | 22.7894 ± 0.001 Å |
| α | 90° |
| β | 97.46 ± 0.002° |
| γ | 90° |
| Cell volume | 5968.7 ± 0.5 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 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 | 0.1059 |
| Residual factor for significantly intense reflections | 0.0866 |
| Weighted residual factors for significantly intense reflections | 0.1891 |
| Weighted residual factors for all reflections included in the refinement | 0.2017 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 269070 (current) | 2021-09-10 | cif/ Adding structures of 1564607 via cif-deposit CGI script. |
1564607.cif |
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Users of the data should acknowledge the original authors of the
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