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The reaction of W(CO)6 with pyOSNa (C5H4NOSNa) and Et4NCl in MeCN affords a new tungsten(0) complex [Et4N][W(pyS)(CO)4] 1 (Mr = 536.29). The crystal and molecular structures have been determined by X-ray single-crystal diffraction. Complex 1 crys-tallizes in the orthorhombic system, space group P212121 with a = 8.2429(5), b = 9.1045(4), c = 26.8851(14) , β = 90.00o, V = 2017.66(18) 3, Z = 4, Dc = 1.765 g/cm3, μ = 58.51 cm-1, F(000) = 1048, the final R = 0.0204 and wR = 0.0400 for 4432 observed reflections with I > 2σ(I). X-ray structure analysis revealed that the molecule is acentric and has large first-order hyperpolarizability (7.2 × 10-30 esu), so it could be an IR second-order nonlinear optical candidate material.
The reaction of W (CO) 6 with pyOSNa (C5H4NOSNa) and Et4NCl in MeCN affords a new tungsten (0) complex [Et4N] [W (pyS) (CO) 4] 1 (Mr = 536.29). The crystal and molecular structures Complex 1 crys-tallizes in the orthorhombic system, space group P212121 with a = 8.2429 (5), b = 9.1045 (4), c = 26.8851 (14), β = 90.00 F = (000) = 1048, the final R = 0.0204 and wR = 0.0400 for 4432, and the observed reflections with I > 2σ (I). X-ray structure analysis revealed that the molecule is acentric and has large first-order hyperpolarizability (7.2 × 10-30 esu), so it could be an IR second-order nonlinear optical candidate material.