Synthesis and Crystal Structure of a Novel A-Zeolite-like Copper Complex: [Cu12(SO4)12(3H2O)]·H2O

Abstract The reaction of CuBr 2 , N(CH 2 CH 2 COOH) 3 , and Nd(NO 3 ) 3 ·6H 2 O in water adjusted pH = 5‐6 with H 2 SO 4 at constant 55 °C afforded a novel three‐dimensional coordination complex [Cu 12 (SO 4 ) 12 (3H 2 O)]·H 2 O, ( 1 ), which was characterized by IR, elemental analysis, and X‐ray diffraction. The crystal structure data of 1 as follows: Cubic, ${\rm Fm}{\bar 3}{\rm c}$ , a = b = c = 24.018(2) Å, V = 13855 (3) Å 3 , Z = 968, D c = 1.905 g/cm 3 , F(000) = 7712, R 1 = 0.0352, wR 2 = 0.0866 (I > 2σ(I)), R 1 = 0.0449, wR 2 = 0.0927 (for all data) and S = 1.075. The analysis of crystal structure indicates that the structure of 1 is similar to that of silicate zeolite (Na 12 [Al 12 Si 12 O 48 ]·27H 2 O).