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Molecular structure of anion L,L-[TiMo(13) 3 ] 4 .
Figure 5.17
studied. The reaction of three equivalents of H 4 - 13 with one equivalent of both [TiO
(acac) 2 ] and [MoCl 4 (CH 3 CN) 2 ] in the presence of Li 2 CO 3 and Na 2 CO 3 gives a dark green
solution. It was assumed that the presence of two different donor groups in the ligand aids
in the selective formation of the heterobimetallic complex [TiMo( 13 ) 3 ] 4 .
The addition of four equivalents of (PNP)Cl to the methanolic solution yields, after 12 h,
a dark green precipitate of (PNP) 4 [TiMo( 13 ) 3 ] which is only soluble in DMF. Crystals of
Li 0.5 (PNP) 3.5 [TiMo( 13 ) 3 ]
H 2 O have been obtained by vapor diffusion of
diethyl ether into a solution of (PNP) 4 [TiMo( 13 ) 3 ] in DMF [50]. The (PNP) 4 [TiMo( 13 ) 3 ]
used for the crystallization experiments was found to contain some traces of lithium cat-
ions, which were not detected by NMR spectroscopy. Structure analysis (Figure 5.17)
revealed that the different binding preferences of the donor groups in 13 4 for the two
different metal ions indeed leads to a triple-standed heterodinuclear complex with parallel
orientation of the ligand strands. The complex tetraanion [TiMo( 13 ) 3 ] 4 contains distorted
OC {Ti(cat) 3 }(
4.5DMF
1.5EtOH
40.4 ) and distorted TP {Mo(bdt) 3 } polyhedra (
23.8 ). The helical
f ¼
f ¼
Ti 12.423(15) A ]in[TiMo
( 13 ) 3 ] 4 measures 42.6 . Since the compound crystallized in a centrosymmetric space
group, the D,D-enantiomer is also present in the crystal lattice.
In the solid state, two enantiomeric helicates, L,L-[TiMo( 13 ) 3 ] 4 and D,D-[TiMo
( 13 ) 3 ] 4 , are connected via a PNP þ cation which resides on a crystallographic inversion
center. This leads to a tetranuclear unit {[TiMo( 13 ) 3 ]
twist between the two L,L-configurated metal centers [Mo
[TiMo( 13 ) 3 ]} 7 (Figure
5.18, left). The complete formula for this assembly is {(PNP) 3 [TiMo( 13 ) 3 ]
(PNP)
[TiMo( 13 ) 3 ](PNP) 3 } . The lithium cation missing for charge neutrality could not be
located by X-ray crystallography.
The importance of alkali metal cations for the stereoselective self-organization of dinu-
clear triple-stranded helicates has been described several times [5c,d,f,h,40a]. The
(PNP)
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