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Information card for entry 4084527
Preview
Coordinates | 4084527.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Imidazolium salt |
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Formula | C17 H17 B F4 I N2 P |
Calculated formula | C17 H17 B F4 I N2 P |
SMILES | [B](F)(F)(F)[F-].c1n(c(c(I)[n+]1C)P(c1ccccc1)c1ccccc1)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 | 7.591 ± 0.005 Å |
b | 8.11 ± 0.005 Å |
c | 30.406 ± 0.005 Å |
α | 90 ± 0.005° |
β | 91.921 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 1870.8 ± 1.7 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 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 | 0.0672 |
Residual factor for significantly intense reflections | 0.0351 |
Weighted residual factors for significantly intense reflections | 0.0542 |
Weighted residual factors for all reflections included in the refinement | 0.0615 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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