Abstract
The copper(II) ion in the title complex, [CuCl(C17H11N3)2]ClO4·2CH3CN, is coordinated by four N atoms from two pbn ligands and one Cl− ion in a distorted trigonal–bipyramidal geometry (τ = 0.84). The asymmetric unit comprises half of the cationic complex molecule, and complete molecules are generated by twofold rotation symmetry with the corresponding axis running through the Cu atom and the coordinating Cl atom. The perchlorate anion is also located on a twofold rotation axis (passing through the Cl atom). In the crystal, there are π–π stacking interactions between the benzonaphthyridine rings of the pbn ligand of neighbouring cations.
Highlights
The copper(II) ion in the title complex, [CuCl(C17H11N3)2]ClO4Á2CH3CN, is coordinated by four N atoms from two pbn ligands and one ClÀ ion in a distorted trigonal–bipyramidal geometry ( = 0.84)
The asymmetric unit comprises half of the cationic complex molecule, and complete molecules are generated by twofold rotation symmetry with the corresponding axis running through the Cu atom and the coordinating Cl atom
The perchlorate anion is located on a twofold rotation axis
Summary
The perchlorate anion is located on a twofold rotation axis (passing through Cl2). The quantitative difference in five-coordinate geometry is indicated by the parameter, the value of which can range from = 1 for a perfect trigonal–bipyramidal geometry to = 0 for a perfect square-pyramidal geometry (Addison et al, 1984). The value for the copper(II) ion of the cation in the title complex is calculated to be 0.84 using the equation = ( À )/60 (Addison et al, 1984), where = N3— Cu1—Cl1 [125.66 (5)] and = N1—Cu1—N1i [175.78 (11); symmetry code: z). The coordination environment of the copper(II) ion in [Cu(pbn)2Cl]+ is slightly distorted trigonal–bipyramidal.
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