Three in one: TSA, TSA', and SA units in one crystal structure of a yttrium(III) complex with a monophosphinated H4dota analogue.
Compound [Y(Hdo3aP(ABn))(H2O)][Y(Hdo3aP(ABn))].6H2O.iPrOH, where H4do3aP(ABn) is 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic-10-methyl(4-aminobenzylphosphinic) acid, a monophosphinate analogue of H4dota, was prepared in the solid state and studied using X-ray crystallography. In contrast to all single-crystal structures of complexes of H4dota-like ligands published before, three distinct units were found in one cell: two species adopting a twisted-square-antiprismatic configuration with (TSA) and without (TSA') a coordinated water molecule and one isomer with a square-antiprismatic configuration (SA). In addition, this is the first complex with the H4dota-like ligand for which the structures of three possible species were determined in the solid state.
Department of Inorganic Chemistry, Universita Karlova (Charles University), Hlavova 2030, 128 40 Prague 2, Czech Republic.
Jan
J
Kotek
Jakub
J
Rudovský
Petr
P
Hermann
Ivan
I
Lukes
D001372:Aza Compounds / Q000737:chemistry*; D003460:Crystallization; D018360:Crystallography, X-Ray; D008024:Ligands; D008958:Models, Molecular; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000737:chemistry*; D010721:Phosphinic Acids / Q000737:chemistry*; D014867:Water / Q000737:chemistry; D015019:Yttrium / Q000737:chemistry*
C516578:1,4,7,10-tetraazacyclododecane-1,4,7-triacetic-10-methyl(4-aminobenzylphosphinic) acid; D001372:Aza Compounds; D008024:Ligands; D009942:Organometallic Compounds; D010721:Phosphinic Acids; D014867:Water; D015019:Yttrium