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Information card for entry 7115502
Preview
Coordinates | 7115502.cif |
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Original paper (by DOI) | HTML |
Formula | C37 H27 F3 N P Pd |
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Calculated formula | C37 H27 F3 N P Pd |
SMILES | [Pd]1(c2ccccc2C=[N]1c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(F)cc(F)cc1F |
Title of publication | [Pd(C[logical and]N)(X)(PPh3)] palladacycles react with 2,4,6-trifluorophenyl boronic acid to give stable transmetallation products of the type [Pd(C[logical and]N)(2,4,6-F3C6H2)(PPh3)] |
Authors of publication | Anant R. Kapdi; Gopal Dhangar; Jose Luis Serrano; Jose Perez; Luis Garcia; Ian J. S. Fairlamb |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 9859 |
a | 18.5049 ± 0.0009 Å |
b | 8.9306 ± 0.0004 Å |
c | 19.6878 ± 0.001 Å |
α | 90° |
β | 111.881 ± 0.002° |
γ | 90° |
Cell volume | 3019.2 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0329 |
Residual factor for significantly intense reflections | 0.0245 |
Weighted residual factors for significantly intense reflections | 0.0562 |
Weighted residual factors for all reflections included in the refinement | 0.0593 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
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/7115502.html
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