Synthesis and Crystal Structure of a New Hexavanadate Hybrid with Alkynyl Ligands

A new hexavanadate hybrid with alkynyl ligands (DIEA) 2 [V 6 O 13 {(OCH 2 ) 3 CNHCOC 6 H 4 C≡CH} 2 ] was synthesized and its molecular structure has been determined by single-crystal X-ray diffraction. The compound crystallize in the orthorhombic system, space group Pccn with the cell parameters a = 15.951(2) Å, b = 33.240 Å, c = 10.5960(14) Å, α = β = γ = 90°, V = 5618.2(13) Å 3 . The electrostatic potential was also calculated to show the electron distribution in the polyoxoanion. Graphical Abstract A new hexavanadate hybrid with alkynyl ligands (DIEA) 2 [V 6 O 13 {(OCH 2 ) 3 CNHCOC 6 H 4 C≡CH} 2 ] was synthesized by post-functionalization. Each of the structures looks like a flabellum and both ends are straight and rigid on account of the conjugated effect in the organic ligands.