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.
Kotek
Jan
J
Department of Inorganic Chemistry, Universita Karlova (Charles University), Hlavova 2030, 128 40 Prague 2, Czech Republic.
Rudovský
Jakub
J
Hermann
Petr
P
Lukes
Ivan
I
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