Calculation of the ssNMR data for 1-La using DFT methods (see Experimental Section) gives mean isotropic Si NMR chemical shifts of δiso = -102.7 ppm for the metal-bound Si atoms, in excellent agreement with the experimentally observed Si MAS NMR shift of -102.6 ppm. The weighted average of the calculated SiMe3 Si shifts for 1-La (δiso = 4.0 ppm) has a slightly worse agreement with the experimental ssNMR value of -4.6 ppm, suggesting that ambient temperature dynamics may need to be considered. Though there is little variance in the mean calculated Si δiso values of SiMe3 groups between 1-La and desolvated La(THF)0 and La(THF)1 (Table ), the mean of the calculated Si NMR shifts for the metal-bound Si atoms of 1-La and desolvated La(THF)1 of δiso = -85.9 ppm is similar to the experimentally-obtained solution Si DEPT NMR value (δiso = -82.3 ppm); we note that the calculated δiso = -43.8 ppm for the metal-bound Si atoms of the La(THF)0 derivative, which has worse agreement with experiment.