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Information card for entry 7705001
Preview
Coordinates | 7705001.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H26 Cl4 F6 N O4 P Pd S |
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Calculated formula | C29 H26 Cl4 F6 N O4 P Pd S |
SMILES | c1(c(c(c(c(c1F)Cl)F)Cl)F)[Pd]1([N](Cc2c([P]1(c1ccccc1)c1ccccc1)cccc2)(C)C)[OH2].C(Cl)Cl.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Experimental study of speciation and mechanistic implications when using chelating ligands in aryl-alkynyl Stille coupling. |
Authors of publication | Gallego, Ana M.; Peñas-Defrutos, Marconi N; Marcos-Ayuso, Guillermo; Martin-Alvarez, Jose M; Martínez-Ilarduya, Jesús M; Espinet, Pablo |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 32 |
Pages of publication | 11336 - 11345 |
a | 29.6077 ± 0.0006 Å |
b | 12.1976 ± 0.0003 Å |
c | 19.6966 ± 0.0004 Å |
α | 90° |
β | 97.086 ± 0.002° |
γ | 90° |
Cell volume | 7059 ± 0.3 Å3 |
Cell temperature | 294 K |
Ambient diffraction temperature | 294 K |
Number of distinct elements | 9 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0624 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for significantly intense reflections | 0.0906 |
Weighted residual factors for all reflections included in the refinement | 0.1035 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation probe | x-ray |
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/7705001.html
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