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Information card for entry 4084529
Preview
Coordinates | 4084529.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H46 B F4 I N2 P2 Pd Si |
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Calculated formula | C44 H46 B F4 I N2 P2 Pd Si |
SMILES | [B](F)(F)(F)[F-].c1n(c(c([n+]1C)[Pd](I)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C)C |
Title of publication | Synthesis of Imidazole-Based Functionalized Mesoionic Carbene Complexes of Palladium: Comparison of Donor Properties and Catalytic Activity toward Suzuki‒Miyaura Coupling |
Authors of publication | Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 21 |
Pages of publication | 6218 |
a | 12.492 ± 0.002 Å |
b | 14.37 ± 0.003 Å |
c | 15.009 ± 0.003 Å |
α | 101.275 ± 0.003° |
β | 91.57 ± 0.003° |
γ | 95.415 ± 0.003° |
Cell volume | 2627.6 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0626 |
Residual factor for significantly intense reflections | 0.0511 |
Weighted residual factors for significantly intense reflections | 0.1367 |
Weighted residual factors for all reflections included in the refinement | 0.1586 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
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/4084529.html
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