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Information card for entry 4083434
Preview
| Coordinates | 4083434.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H30 Cl2 N4 Pd |
|---|---|
| Calculated formula | C31 H30 Cl2 N4 Pd |
| SMILES | C(#[N]c1c(cccc1C)C)[Pd](=C(NN=C(c1ccccc1)c1ccccc1)Nc1c(cccc1C)C)(Cl)Cl |
| Title of publication | Novel Metal-Mediated (M = Pd, Pt) Coupling between Isonitriles and Benzophenone Hydrazone as a Route to Aminocarbene Complexes Exhibiting High Catalytic Activity (M = Pd) in the Suzuki−Miyaura Reaction |
| Authors of publication | Luzyanin, Konstantin V.; Tskhovrebov, Alexander G.; Carias, M. Carolina; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.; Kukushkin, Vadim Yu. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 22 |
| Pages of publication | 6559 |
| a | 10.2783 ± 0.0006 Å |
| b | 11.5467 ± 0.0007 Å |
| c | 13.7539 ± 0.0008 Å |
| α | 71.342 ± 0.003° |
| β | 76.117 ± 0.004° |
| γ | 68.708 ± 0.002° |
| Cell volume | 1426.74 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0477 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0705 |
| Weighted residual factors for all reflections included in the refinement | 0.0781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178723 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/34. |
4083434.cif |
| 114880 | 2014-05-29 | cif/ Adding structures of 4083434 via cif-deposit CGI script. |
4083434.cif |
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Users of the data should acknowledge the original authors of the
structural data.