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Information card for entry 4080867
Preview
Coordinates | 4080867.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H36 Cl F4 N P2 Pd |
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Calculated formula | C25 H36 Cl F4 N P2 Pd |
SMILES | [Pd]([P](CC)(CC)CC)(Cl)([P](CC)(CC)CC)c1c(F)c(F)c(c(F)c1F)/C=C/c1ccncc1 |
Title of publication | A Phosphine-Accelerated ArF‒Chloride Bond Activation Process by Palladium |
Authors of publication | Orbach, Meital; Zenkina, Olena V.; Diskin-Posner, Yael; Iron, Mark A.; van der Boom, Milko E. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 10 |
Pages of publication | 3074 |
a | 13.312 ± 0.0004 Å |
b | 11.045 ± 0.0006 Å |
c | 38.614 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5677.5 ± 0.4 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 7 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1084 |
Residual factor for significantly intense reflections | 0.0498 |
Weighted residual factors for significantly intense reflections | 0.1093 |
Weighted residual factors for all reflections included in the refinement | 0.1265 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
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/4080867.html
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