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Information card for entry 1577455
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| Coordinates | Coordinates are not available: file is not found. |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Na(THF)4][WO(2,6-dimethylphenoxide)4] |
|---|---|
| Chemical name | [Na(THF)4][WO(ODmp)4] |
| Formula | C12 H17 Na0.25 O2.25 W0.25 |
| Calculated formula | C12 H17 Na0.25 O2.25 W0.25 |
| Title of publication | Excited-state orbital angular momentum enables all-optical molecular spin coherence |
| Authors of publication | Sutcliffe, Erica; Aalto, Jonathan P.; Hadt, Ryan G. |
| Journal of publication | Chemical Science |
| Year of publication | 2026 |
| a | 13.4381 ± 0.0004 Å |
| b | 13.4381 ± 0.0004 Å |
| c | 25.945 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4685.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 130 |
| Hermann-Mauguin space group symbol | P 4/n c c :2 |
| Hall space group symbol | -P 4a 2ac |
| Residual factor for all reflections | 0.0511 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0705 |
| Weighted residual factors for all reflections included in the refinement | 0.0819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.214 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306669 (current) | 2026-06-28 | cif/ Adding structures of 1577455 via cif-deposit CGI script. |
1577455.cif |
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