Unprecedented boat-shaped [Mo2O5(IO3)(4)](2-) polyanions induced a strong second harmonic generation response

The first organic-inorganic hybrid guanidine molybdenyl iodate [C(NH2)(3)](2)Mo2O5(IO3)(4)center dot 2H(2)O was successfully synthesized via an improved moderate hydrothermal method. It features an unprecedented boat-shaped zero-dimensional [Mo2O5(IO3)(4)](2-) polyanion cluster, which induces a wide band gap, moderate birefringence and strong second harmonic generation response, indicating that it is a potential nonlinear optical material.