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Information card for entry 1568512
Preview
| Coordinates | 1568512.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C70.5 H94 O6 S U2 |
|---|---|
| Calculated formula | C60 H82 O6 S U2 |
| Title of publication | Isolation of C1 through C4 derivatives from CO using heteroleptic uranium(iii) metallocene aryloxide complexes |
| Authors of publication | Ward, Robert J.; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R. |
| Journal of publication | Chemical Science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 2024 - 2032 |
| a | 56.6846 ± 0.0017 Å |
| b | 56.6846 ± 0.0017 Å |
| c | 10.2786 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 28601.9 ± 1.5 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0592 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.0972 |
| Weighted residual factors for all reflections included in the refinement | 0.1058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281098 (current) | 2023-02-23 | cif/ Adding structures of 1568507, 1568508, 1568509, 1568510, 1568511, 1568512, 1568513 via cif-deposit CGI script. |
1568512.cif |
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Users of the data should acknowledge the original authors of the
structural data.