Abstract
AbstractThe crystal structure of MoO2(SAP)(EtOH) is reported for the first time. The compound crystallizes in the monoclinic crystallographic system (P21/n, a = 11.0923(3) Å, b = 6.9590(2) Å, c = 19.4499(5) Å, β = 94.458(1)°, V = 1496.82(7) Å3, Z = 4). The molybdenum atom adopts a distorted octahedral arrangement with cis Mo=O bonds, typical for cis‐dioxomolybdenum(VI) complexes. The ethanol ligand is situated trans to one oxido ligand. Theoretical calculations in the gas phase were performed to examine the relative stability of MoO2(L)(EtOH) and the [MoO2(L)]2 dimeric form (L = SAP, SAE).
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