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Information card for entry 1572929
Preview
| Coordinates | 1572929.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94 H104 O6 P5 Pd6 |
|---|---|
| Calculated formula | C94 H104 O6 P5 Pd6 |
| Title of publication | The ubiquitous P(o-tol)3 ligand promotes formation of catalytically-active higher order palladacyclic clusters |
| Authors of publication | Husbands, David R.; Tanner, Theo; Whitwood, Adrian C.; Hodnett, Neil S.; Wheelhouse, Katherine M. P.; Fairlamb, Ian J. S. |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 15.4929 ± 0.0002 Å |
| b | 20.2644 ± 0.0003 Å |
| c | 32.5025 ± 0.0005 Å |
| α | 75.5537 ± 0.0014° |
| β | 85.6199 ± 0.0013° |
| γ | 84.3876 ± 0.0013° |
| Cell volume | 9820 ± 0.3 Å3 |
| Cell temperature | 110 ± 0.1 K |
| Ambient diffraction temperature | 110 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.075 |
| Residual factor for significantly intense reflections | 0.0645 |
| Weighted residual factors for significantly intense reflections | 0.1806 |
| Weighted residual factors for all reflections included in the refinement | 0.189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295596 (current) | 2024-10-24 | cif/ Adding structures of 1572926, 1572927, 1572928, 1572929 via cif-deposit CGI script. |
1572929.cif |
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Users of the data should acknowledge the original authors of the
structural data.