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Information card for entry 1546335
Preview
| Coordinates | 1546335.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H23.6 Cl2.4 N2 Pd2 |
|---|---|
| Calculated formula | C18 H23.6 Cl2.4 N2 Pd2 |
| Title of publication | Mono-N-Protected Amino Acid Ligands Stabilize Dimeric Palladium(II) Complexes of Importance to C-H Functionalization |
| Authors of publication | Gair, Joe J.; Haines, Brandon E.; Filatov, Alexander S.; Musaev, D. G.; Lewis, Jared C. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 7.8606 ± 0.0004 Å |
| b | 15.71 ± 0.0009 Å |
| c | 8.3499 ± 0.0004 Å |
| α | 90° |
| β | 108.607 ± 0.0013° |
| γ | 90° |
| Cell volume | 977.23 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0529 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.0876 |
| Weighted residual factors for all reflections included in the refinement | 0.0907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.29 |
| 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. |
1546335.cif |
| 197897 | 2017-06-17 | cif/ Adding structures of 1546333, 1546334, 1546335, 1546336, 1546337, 1546338, 1546339, 1546340, 1546341 via cif-deposit CGI script. |
1546335.cif |
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Users of the data should acknowledge the original authors of the
structural data.