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oa South African Journal of Chemistry - A structural investigation of the DO solvated, acetone solvated and nonsolvated 1,4-Diazabicyclo[2.2.2]octane complexes of the half sandwich moiety [(η5-CH)(CO)Fe] : research article

 

Abstract

Two new solvates of the dinuclear salt {(η5-CH)(CO)Fe}(μ-DABCO)](BF) (DABCO = 1,4-diazabicyclo[2.2.2]octane); (DO solvate) and (acetone solvate), and the mononuclear salt [(η5-CH)(CO)Fe(DABCO)]BF, , have been synthesized and structurally characterized. The DO solvate, forms crystals in the triclinic space group 1, the acetone solvate forms crystals in the monoclinic 2/ space group, while the unsolvated mononuclear salt, , forms crystals in the orthorhombic 222 space group. The respective unit cell parameters are: Compound , = 7.66300(10) Å, = 12.3133(2) Å, = 13.9629(2) Å, α = 69.179(1) °, β = 77.114(1) ° and γ = 84.282(1) °; Compound , = 17.3633(3) Å, = 14.1688(3) Å, = 11.3542(2) Å, β = 99.344(1) °; Compound , = 8.9936(2) Å, = 10.8949(3) Å, = 15.3417(4) Å. The DABCO ligand adopts a twisted conformation with N-C-C-N torsion angles ranging between -21.05(12) to -19.31(12) ° and 15.3(2) -15.7(2) ° in and , respectively, whereas in , the CH groups of each NCHCHN moiety are almost eclipsed, the torsion angles ranging from -2.89(18) to -1.50(16) °.

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/content/chem/66/1/EJC140243
2013-01-01
2016-12-08
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