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CIF Information Card
Information card for 7101621
7101620 << 7101621 >> 7101622Preview
|
Coordinates |
7101621.cif |
Structure parameters
| Formula | - C18 H19 F3 N O4 P Pd S - |
| Calculated formula | - C18 H19 F3 N O4 P Pd S - |
| Title of publication | Structurally characterized intermediates in the stepwise insertion of CO-ethylene or CO-methyl acrylate into the metal-carbon bond of Pd(II) complexes stabilized by (phosphinomethyl)oxazoline ligands. |
| Authors of publication | Agostinho, Magno; Braunstein, Pierre |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2007 |
| Journal issue | 1 |
| Pages of publication | 58 - 60 |
| a | 17.471 ± 0.0002 Å |
| b | 13.178 ± 0.0002 Å |
| c | 29.302 ± 0.0003 Å |
| α | 90° |
| β | 107.12 ± 0.0006° |
| γ | 90° |
| Cell volume | 6447.36 ± 0.14 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.1742 |
| Residual factor for observed reflections | 0.0548 |
| Weighted residual factors for the observed reflections | 0.1156 |
| Weighted residual factors for all reflections included in the refinement | 0.1518 |
| Goodness-of-fit parameter for observed reflections | 0.948 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |