Hydrothermal Synthesis and Crystal Structure of a New 3-D Open-framework Zincophosphate

An open-framework zincophosphate, [C4N3H16][Zn4.5(PO4)4] 1, has been hydro- thermally synthesized and characterized by single-crystal X-ray diffraction. It crystallizes in the tetragonal space group P 4 with a = 14.512(5), c = 8.914(3), V = 1877.3(11)3, C4H16N3O16P4Zn4.50, Mr = 780.24, Z = 4, Dc = 2.761 g/cm3, μ = 6.103 mm-1, F(000) = 1536, T = 298(2) K, R = 0.0416 and wR = 0.0816. In the structure, ZnO4 and PO4 tetrahedra are linked to each other, forming four-membered rings which are connected variably to form two secondary building units (SBUs). The SBUs are connected so as to generate two chains along the c axis, which are further linked together alternatively via common oxygen atoms (Zn-O-P) giving rise to 8-ring-channels in the [001] direction, and the protonated guest diethylenetriamine (DETA) molecules sit in the middle of these channels. Other characterizations are also described by elemental analysis, thermal analysis and IR and fluorescent spectra.