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Information card for entry 4079051
Preview
Coordinates | 4079051.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H34 Cl6 F12 O4 P2 Pd2 |
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Calculated formula | C48 H34 Cl6 F12 O4 P2 Pd2 |
SMILES | [Pd]12([P](c3c([Pd]4([P](c5c1cccc5)(c1ccccc1)c1ccccc1)(Cl)[O]=C(C(F)(F)F)C=C(O4)C(F)(F)F)cccc3)(c1ccccc1)c1ccccc1)(Cl)OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F.ClCCl.ClCCl |
Title of publication | Dinuclear Palladium(II) and -(III) Compounds with O,O-Chelating Ligands. Room-Temperature Direct 2-Phenylation of 1-Methylindole |
Authors of publication | Ibáñez, Susana; Estevan, Francisco; Hirva, Pipsa; Sanaú, Mercedes; Úbeda, M Angeles |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 23 |
Pages of publication | 8098 |
a | 11.91 ± 0.0003 Å |
b | 12.939 ± 0.0003 Å |
c | 18.614 ± 0.0004 Å |
α | 107.128 ± 0.0015° |
β | 101.874 ± 0.0014° |
γ | 95.847 ± 0.0015° |
Cell volume | 2641.81 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1027 |
Residual factor for significantly intense reflections | 0.0581 |
Weighted residual factors for significantly intense reflections | 0.1473 |
Weighted residual factors for all reflections included in the refinement | 0.1711 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4079051.html
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Users of the data should acknowledge the original authors of the
structural data.