Synthesis, Spectroscopic Properties andCrystal Structure of (C4N2H12)2Zr(C204)4.H2O

2004 
The title compound (C4N2H12)2Zr(C2O4)4.H2O 1 was synthesized by the reaction of ZrOCl2.8H2O, H2C2O4.2H2O and piperazinium in aqueous solution. Single-crystal X-ray analysis has revealed that compound 1 (C16H26N4O17Zr, Mr=637.63) crystallizes in the monoclinic system, space group P21/c with a=9.0425(3), b=13.3844(3), c=19.1191(5)A, β=98.365(1)°, V=2289.34(11)A^3, Z=4, Dc=1.850g/cm^3, F(000)=1304,μ=0.577mm^-1, the final R=0.0240 and wR=0.0628 for 4386 observed reflections with I>2σ(I). X-ray crystal-structure analysis suggests that compound 1 consists of [Zr(C2O4)4]^4- anion and two protonated piperazinium cations. The anions are linked through hydrogen bonds of piperazinium. Fr-IR and Raman spectra clearly show the existence of oxalate groups in the crystal lattice.
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