Self-assembly synthesis, structure, topology, and magnetic properties of a mononuclear Fe(iii)-violurate derivative: a combined experimental and theoretical study.

A new iron(III) complex [Fe(H(2)Vi)(3)]center dot py center dot 4H(2)O (1) {H(3)Vi = violuric acid, py = pyridine} was self-assembled and characterized. In the crystal structure, adjacent [Fe(H(2)Vi)(3)] blocks are H-bonded into a complex 3D network, which was topologically classified as a pcu [alpha-Po primitive cubic] network. Importance of pi-stacking interactions was also highlighted and analyzed computationally. Magnetic studies confirmed antiferromagnetic exchange coupling, while ZFCM/FCM experiments indicated an ordering temperature T-c = 50 K. Finally, magnetic hysteresis at 5 K possesses the coercive field of B-c = 69 mT.