Substituent change modulates the coordination symmetries and magnetic dynamics of five mononuclear β-diketonate-Dy(iii) complexes with capping N-donor coligands, which is studied by the combination of magnetic investigation and ab initio calculation.
Coupling Dy3 triangles results in two unique Dy6 complexes showing single-molecule magnetic behaviour with high energy barriers of 116 and 181 K for Dy6–NO3 and Dy6–SCN, respectively.