Synthesis and a combined experimental/theoretical structural study of a comprehensive set of Pd/NHC complexes with <i>o</i>-, <i>m</i>-, and <i>p</i>-halogen-substituted aryl groups (X = F, Cl, Br, CF<sub>3</sub>).
Authors of publication
Pankov, Roman O.; Prima, Darya O.; Kostyukovich, Alexander Yu; Minyaev, Mikhail E.; Ananikov, Valentine P.
Journal of publication
Dalton transactions (Cambridge, England : 2003)
Year of publication
2023
a
36.2866 ± 0.0007 Å
b
8.7886 ± 0.0002 Å
c
14.5007 ± 0.0003 Å
α
90°
β
90°
γ
90°
Cell volume
4624.4 ± 0.17 Å3
Cell temperature
100 ± 2 K
Ambient diffraction temperature
100 ± 2 K
Number of distinct elements
6
Space group number
43
Hermann-Mauguin space group symbol
F d d 2
Hall space group symbol
F 2 -2d
Residual factor for all reflections
0.015
Residual factor for significantly intense reflections
0.0143
Weighted residual factors for significantly intense reflections
0.035
Weighted residual factors for all reflections included in the refinement
0.0355
Goodness-of-fit parameter for all reflections included in the refinement
