Two new ion-pair complexes containing derivatives of substituted benzyl isoquinolinium and bis(maleonitriledithiolato)nickelate monoanion: 3D crystal structures, magnetic properties and theoretical analyses

Syntheses, crystal structures and properties of two new molecular solids by self-assembly of bis(maleonitriledithiolate)nickel(III)/copper(II) anion and substituted 4-fluorobenzyl isoquinolinium cation

“…In the [Ni (mnt) 2 ] À anion, the average Ni-S bond distance is 2.151 Å with the average S-Ni-S bond angle of 90.0 , and the detailed bond parameters are listed in Table 2. The dihedral angle of 0.7 between the plane S(1)-Ni(1)-S(2) and the plane S(1)-Ni(1)-S(2) shows the anion possesses a most complete planar geometry, similar to those found in other molecular solids containing [Ni(mnt) 2 ] À anion [20][21][22]. The [4FBzIQl] + cation adopts a conformation in which both the benzene and isoquinoline rings are twisted relative to the plane defined by C (14), C (15) and N(5) atoms with the angle of 110.0 .…”