Crystal structure of catena-poly[hemi[1,3-bis-(2,6-diisoprop-ylphenyl)imidazolium] [[?3-acetato-?(3) O:O:O'-tri-?2-acetato-?(6) O:O'-dicopper(II)(Cu-Cu)]-?-chlorido] di-chloro-methane sesqui-solvate].

ABSTRACT: The title copper(II) complex, {(C27H37N2)[Cu4(CH3COO)8Cl]·3CH2Cl2} n , is a one-dimensional coordination polymer. The asymmetric unit is composed of a copper(II) tetra-acetate paddle-wheel complex, a Cl(-) anion situated on a twofold rotation axis, half a 1,3-bis-(2,6-diisoprop-ylphenyl)imidazolium cation (the whole mol-ecule being generated by twofold rotation symmetry) and one and a half of a di-chloro-methane solvent mol-ecule (one being located about a twofold rotation axis). The central metal-organic framework comprises of a tetra-nuclear copper(II) acetate 'paddle-wheel' complex which arises from the dimerization of the copper(II) tetra-acetate core comprising of three ?2-bidentate acetate and one ?3-tridentate acetate ligands per binuclear paddle-wheel complex. Both Cu(II) atoms of the binuclear component adopt a distorted square-pyramidal coordination geometry (? = 0.04), with a Cu?Cu separation of 2.6016?(2)?Å. The apical coordination site of one Cu(II) atom is occupied by an O atom of a neighbouring acetate bridge [Cu-O = 2.200?(2)?Å], while that of the second Cu(II) atom is occupied by a bridging chloride ligand [Cu?Cl = 2.4364?(4)?Å]. The chloride bridge is slightly bent with respect to the Cu?Cu inter-nuclear axis [Cu-Cl-Cu = 167.06?(6)°] and the tetra-nuclear units are located about a twofold rotation axis, forming the one-dimensional polymer that propagates along [101]. Charge neutrality is maintained by the inclusion of the 1,3-bis-(2,6-diisoprop-ylphenyl)imidazolium cation within the crystal lattice. In the crystal, the cation and di-chloro-methane solvent mol-ecules are linked to the coordin-ation polymer by various C-H?O and C-H?Cl hydrogen bonds. There are no other significant inter-molecular inter-actions present.

SUBMITTER: Iqbal M 

PROVIDER: S-EPMC4571378 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature