Crystal Structure of Bis(tetrabutylammonium) Oxopentathiocyanatomolybdate( V) —ethanol (1:0.5), [(c4h9)4n]2[moo(ncs)5] · 0.5C2H5OH

C 38 H 75 MoN 7 O 1.50 S 5 ,triclinic, P1 (no.2), a =16.282(3)Å, b =17.261(4)Å, c =21.234(4) Å, a =111.27(3)°,b Source of materialThe precursor (Bu 4N)2[Mo6O18(NC6H4Br)] was prepared according to the procedure [1].(Bu 4 N) 2 [Mo 6 O 18 (NC 6 H 4 Br)](1 mmol, 1.52 g) and KSCN (10 mmol, 0.97 g) were resolved in 20 ml acetonitrile to obtain adark red solution.On evaporation, the product deposited from the filtrate as plate-like crystals.X-ray quality crystals were recrystallized from acetonitrile solution. DiscussionThe title compound, [Bu 4 N] 2 [MoO(NCS) 5 ], where the Bu 4 N + cation is tetrabutylammonium, consists of two Bu 4 N + cations and amolybdenum(V) complex anion [MoO(NCS) 5] 2-.The central Mo is coordinated by one oxygen atom and five NCS ligands (via Mo-Nb onds), which construct an octahedron.There are two crystallographically independent [MoO(NCS) 5 ] 2-anion in the unit cell, and both possess C 1 symmetry in the solid state.The most obvious difference between them is their axial C-N-Mo angles at 171.7°and 150.9°.The approximate symmetry of the anion is C 4v,b ut the nonlinear unit C-N-Mo brakes the axial symmetry.The dihedral angles between axial NCS and the closest equatorial NCS are 24.2(9)°(Mo1anion) and 29.3(3)°(Mo2 anion), respectively, which deviates from 0°or 45°,sothe mirror