crystal structure of catena-poly[hemi[1,3-bis(2,6-diisopropylphenyl)imidazolium] [[μ3-acetato-κ3o:o:o′-tri-μ2-acetato-κ6o:o′-dicopper(ii)(cu—cu)]-μ-chlorido] dichloromethane sesquisolvate]

Clicks: 251
ID: 141036
2015
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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) tetraacetate paddle-wheel complex, a Cl− anion situated on a twofold rotation axis, half a 1,3-bis(2,6-diisopropylphenyl)imidazolium cation (the whole molecule being generated by twofold rotation symmetry) and one and a half of a dichloromethane solvent molecule (one being located about a twofold rotation axis). The central metal-organic framework comprises of a tetranuclear copper(II) acetate `paddle-wheel' complex which arises from the dimerization of the copper(II) tetraacetate core comprising of three μ2-bidentate acetate and one μ3-tridentate acetate ligands per binuclear paddle-wheel complex. Both CuII atoms of the binuclear component adopt a distorted square-pyramidal coordination geometry (τ = 0.04), with a Cu...Cu separation of 2.6016 (2) Å. The apical coordination site of one CuII atom is occupied by an O atom of a neighbouring acetate bridge [Cu—O = 2.200 (2) Å], while that of the second CuII 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 internuclear axis [Cu—Cl—Cu = 167.06 (6)°] and the tetranuclear 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-diisopropylphenyl)imidazolium cation within the crystal lattice. In the crystal, the cation and dichloromethane solvent molecules are linked to the coordination polymer by various C—H...O and C—H...Cl hydrogen bonds. There are no other significant intermolecular interactions present.
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iqbal2015actacrystal Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors ;Mohammad Iqbal;James Raftery;Peter Quayle
Journal Disability and rehabilitation
Year 2015
DOI
10.1107/S2056989015013675
URL
http://scripts.iucr.org/cgi-bin/paper?S2056989015013675
Keywords
crystal structure coordination polymer

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