“…The crystallographic structures of [BP 3 ]Fe'N x complexes show a pseudo-threefold symmetric environment with the borate, the Fe center, and the nitride or imide group lying along a common z axis (25, 27,28,41). Under this approximate C 3v symmetry, the d orbitals split into a low-lying nonbonding e set of dxy, dx 2 -y 2 parentage (Fig.…”