Crystal structure of tris-(4,7-diphenyl-1,10-phenanthroline-κ2 N,N')cobalt(III) tris-(hexa-fluoro-phosphate) monohydrate.

Asma Mani,Gilles Gasser,Jamel Eddine Belgaied,Olivier Blacque

doi:10.1107/s2056989022001359

Abstract

The title compound, [Co(C72H48N6)](PF6)3·H2O, crystallizes with one tripositive complex mol-ecule, three hexa-fluoro-phosphate anions and one solvent mol-ecule of water in the asymmetric unit. The N6 coordination set around the central CoIII atom defines a distorted octa-hedral environment. Four fluorine atoms of one hexa-fluoro-phosphate anion are disordered over two sets of positions with site-occupancy factors of 0.697 (5) and 0.303 (5). In the crystal, inter-molecular π-π stacking inter-actions, C-H⋯π, C-H⋯F and O-H⋯F and inter-actions are present.

Highlights

Metal complexes with polypyridyl ligands have been investigated as photosensitizers in photodynamic therapy (PDT) against cancer
A series of CoIII complexes based on substituted 3-(pyridine-2-yl)-triazine ligands (Wang et al, 2004), or bis(1,10-phenanthroline), bis(2,20-bipyridine) and derivatized imidazole-phenanthroline ligands were developed (Nagababu et al, 2008)
The Co—N bond lengths are in the range 1.934 (3)–1.954 (3) A (Table 1) and correlate well with literature values observed for CoIII species

Summary

Chemical context

Metal complexes with polypyridyl ligands have been investigated as photosensitizers in photodynamic therapy (PDT) against cancer. A series of CoIII complexes based on substituted 3-(pyridine-2-yl)-triazine ligands (Wang et al, 2004), or bis(1,10-phenanthroline), bis(2,20-bipyridine) and derivatized imidazole-phenanthroline ligands were developed (Nagababu et al, 2008). These compounds were found to cleave calf thymus DNA (Zhang et al, 2001). Tris(2,20-bipyridyl)based ligands were used to design redox stable CoII/III complexes for redox flow batteries (Yang et al, 2018). Encouraged by these results, our team aimed at developing new cobalt complexes. We report on the synthesis and crystal structure of [tris(4,7-diphenyl-1,10-phenanthroline) cobalt(III)] tris (hexafluorophosphate) monohydrate, [CoIII(C72H48N6)]3+(PF6À)3ÁH2O

Structural commentary

Supramolecular features

Database survey

Refinement