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Information card for entry 4082251
Preview
Coordinates | 4082251.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H30 Cl F5 P2 Pd |
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Calculated formula | C42 H30 Cl F5 P2 Pd |
SMILES | [Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F |
Title of publication | Decarbonylative Coupling of Fluorobenzoyl Chlorides with Hexamethyldisilane in the Presence of a Palladium Complex Catalyst: Extremely Facile Decarbonylation of Pentafluorobenzoyl‒Pd Complex Relevant to C6F5SiMe3 Formation |
Authors of publication | Kashiwabara, Taigo; Tanaka, Masato |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 19 |
Pages of publication | 4648 - 4652 |
a | 23.287 ± 0.004 Å |
b | 11.9507 ± 0.0017 Å |
c | 25.667 ± 0.004 Å |
α | 90° |
β | 90.019 ± 0.002° |
γ | 90° |
Cell volume | 7143 ± 1.9 Å3 |
Cell temperature | 113.1 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for significantly intense reflections | 0.0597 |
Weighted residual factors for all reflections included in the refinement | 0.0773 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Duplicate of | 4074225 |
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/4082251.html
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