A crystal-gas method was used to prepare neutral [(por)Fe(NO)(O-ligand)] complexes. [(por)Fe(NO)(OC(O)CF3)] has an almost linear FeNO moiety. Porphyrin molecules move dramatically in the crystal upon NO diffusion into the lattice and binding to Fe. DFT calculations on this and related complexes provide insight into the trans effects of axial ligands on the FeNO angle.
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