CRYSTAL STRUCTURE OF {Mo3（μ3-S）（μ-S）3 S2P(OEt}24·PhCH2CN}

摘要

＜正＞ Mr=2548.12, Triclinic, P1, a=15.941（5）, b=15.957（2）,c=20.240（6）A, α=76.41（2）,β=83.87（2）,γ=74.41（2）°,V=4814.6A3, Z=4, Dc=1.757g.cm-3, Final R=0.053 for 11867 reflections. There are two crystallographically independent M1 type trinuclear Mo cluster molecules with ’loose coordination site’, A and B, in an asymmetric unit of the title crystal. They are formulated as {Mo3S4（u-dtp）（dtp）3.PhCH2CN}（dtp=[S2P（OEt）2]-） and have essentially identical cluster molecular configuration, but differ from each other in the conformations for the phenyl rings of the ligands PhCH2CN. The lengths of the Mo-Mo bonds are 2.750（1）, 2.753（1）,and 2.768（1）A for molecule A and 2.742（1）, 2.756（1）, and 2.764（1）A for molecule B, while the dihedral angles betweem the phenyl ring and the {Mo3} triangle are 25.0° and 94.9° for A and B respectively.