%0 Generic %A Okazawa, Atsushi %A Ishida, Takayuki %D 2010 %T Spin-Transition-Like Behavior on One Side in a Nitroxide-Copper(II)-Nitroxide Triad System %U https://acs.figshare.com/articles/dataset/Spin_Transition_Like_Behavior_on_One_Side_in_a_Nitroxide_Copper_II_Nitroxide_Triad_System/2718442 %R 10.1021/ic101536q.s001 %2 https://acs.figshare.com/ndownloader/files/4394392 %K Stotal %K SystemThe %K 175 K %K manner %K space group %K C 2221 %K P 212121 %K Triad %K distortion %K warming %K analysis %K deformation %K Cu %X The ground spin-state of [Cu(phpyNO)2(H2O)2](BF4)2 was switched between Stotal = 1/2 and 3/2 across 175 K. On warming, the space group was changed from P212121 to C2221 in a single-crystal-to-single-crystal manner, and the transient structure could be monitored by means of the crystallographic analysis. The copper-radical exchange coupling changed from 2J/kB = −463(3) to +312(6) K with rather small Cu−O−N−C2py twisting deformation on one side, while practically no distortion occurred on the other. %I ACS Publications