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Information card for entry 7001079
Preview
| Coordinates | 7001079.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H24 N10 O2 Pd |
|---|---|
| Calculated formula | C24 H24 N10 O2 Pd |
| SMILES | [NH]1=C(c2cnccc2)N=C(N[Pd]21NC(=NC(=[NH]2)c1cccnc1)c1cccnc1)c1cccnc1.O.O |
| 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 | 7.77 ± 0.002 Å |
| b | 8.635 ± 0.003 Å |
| c | 9.736 ± 0.003 Å |
| α | 73.758 ± 0.015° |
| β | 72.058 ± 0.014° |
| γ | 88.654 ± 0.016° |
| Cell volume | 595.3 ± 0.3 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 | 0.0241 |
| Residual factor for significantly intense reflections | 0.0232 |
| Weighted residual factors for significantly intense reflections | 0.0575 |
| Weighted residual factors for all reflections included in the refinement | 0.058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179688 (current) | 2016-03-24 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/10. |
7001079.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7001079.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7001079.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7001079.cif |
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