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Information card for entry 4063474
Preview
Coordinates | 4063474.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H40 Br2 N3 O P Pd |
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Calculated formula | C38 H40 Br2 N3 O P Pd |
SMILES | Br[Pd](=C1N(CCN1Cc1ccccc1)Cc1ccccc1)(Br)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)N(C)C |
Title of publication | Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes |
Authors of publication | Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 2 |
Pages of publication | 463 - 472 |
a | 11.5499 ± 0.0004 Å |
b | 16.3133 ± 0.0006 Å |
c | 19.19 ± 0.0007 Å |
α | 90° |
β | 96.712 ± 0.001° |
γ | 90° |
Cell volume | 3590.9 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0288 |
Residual factor for significantly intense reflections | 0.0224 |
Weighted residual factors for significantly intense reflections | 0.0572 |
Weighted residual factors for all reflections included in the refinement | 0.0594 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/4063474.html
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Users of the data should acknowledge the original authors of the
structural data.