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Information card for entry 1568517
Preview
| Coordinates | 1568517.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C55 H82 B N2 O3 Sm |
|---|---|
| Calculated formula | C55 H82 B N2 O3 Sm |
| Title of publication | Molecular cyclo-P3 complexes of the rare-earth elements via a one-pot reaction and selective reduction |
| Authors of publication | Hauser, Adrian; Münzfeld, Luca; Schlittenhardt, Sören; Köppe, Ralf; Uhlmann, Cedric; Rauska, Ulf-Christian; Ruben, Mario; Roesky, Peter W. |
| Journal of publication | Chemical Science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 2149 - 2158 |
| a | 13.8154 ± 0.0004 Å |
| b | 14.2166 ± 0.0003 Å |
| c | 26.9732 ± 0.0007 Å |
| α | 90° |
| β | 99.004 ± 0.002° |
| γ | 90° |
| Cell volume | 5232.5 ± 0.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0312 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for significantly intense reflections | 0.0591 |
| Weighted residual factors for all reflections included in the refinement | 0.0617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281099 (current) | 2023-02-23 | cif/ Adding structures of 1568514, 1568515, 1568516, 1568517, 1568518, 1568519, 1568520, 1568521, 1568522, 1568523 via cif-deposit CGI script. |
1568517.cif |
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Users of the data should acknowledge the original authors of the
structural data.