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Information card for entry 7001076
Preview
| Coordinates | 7001076.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H31 Cl7 N6 O2 Pd2 |
|---|---|
| Calculated formula | C25 H31 Cl7 N6 O2 Pd2 |
| SMILES | C1(=O)c2cccc[n]2[Pd]([N]1=C1CCC(C)(C)N1)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | Single-pot template transformations of cyanopyridines on a PdII centre: syntheses of ketoimine and 2,4-dipyridyl-1,3,5-triazapentadiene palladium(II) complexes and their catalytic activity for microwave-assisted Suzuki‒Miyaura and Heck reactions |
| Authors of publication | Kopylovich, Maximilian N.; Lasri, Jamal; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 16 |
| Pages of publication | 3074 - 3084 |
| a | 13.595 ± 0.003 Å |
| b | 15.092 ± 0.003 Å |
| c | 19.045 ± 0.005 Å |
| α | 66.858 ± 0.012° |
| β | 89.921 ± 0.01° |
| γ | 72.589 ± 0.011° |
| Cell volume | 3398.3 ± 1.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0857 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.0942 |
| Weighted residual factors for all reflections included in the refinement | 0.1145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7001076.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001076.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001076.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001076.cif |
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