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Information card for entry 1547635
Preview
| Coordinates | 1547635.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H54 N P2 Pd |
|---|---|
| Calculated formula | C25 H54 N P2 Pd |
| Title of publication | Ex situ generation of stoichiometric HCN and its application in the Pd-catalysed cyanation of aryl bromides: Evidence for a transmetallation step between two oxidative addition Pd-complexes |
| Authors of publication | Skrydstrup, Troels; Kristensen, Steffan Kvist; Eikeland, Espen; Taarning, Esben; Lindhardt, Anders T. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 12.6035 ± 0.0003 Å |
| b | 17.2591 ± 0.0004 Å |
| c | 25.6455 ± 0.0005 Å |
| α | 90.2601 ± 0.0018° |
| β | 90.0672 ± 0.0018° |
| γ | 90.8113 ± 0.0019° |
| Cell volume | 5577.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 0.11 K |
| Ambient diffraction temperature | 100 ± 0.11 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 | 0.0842 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1272 |
| Weighted residual factors for all reflections included in the refinement | 0.1373 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1547635.cif |
| 201843 | 2017-10-07 | cif/ Adding structures of 1547631, 1547632, 1547633, 1547634, 1547635 via cif-deposit CGI script. |
1547635.cif |
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Users of the data should acknowledge the original authors of the
structural data.