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Crystal structure of catena-poly[hemi[1,3-bis(2,6-diisopropylphenyl)imidazolium] [[μ(3)-acetato-κ(3) O:O:O′-tri-μ(2)-acetato-κ(6) O:O′-dicopper(II)(Cu—Cu)]-μ-chlorido] dichloromethane sesquisolvate]
The title copper(II) complex, {(C(27)H(37)N(2))[Cu(4)(CH(3)COO)(8)Cl]·3CH(2)Cl(2)}(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-diisopropylphe...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571378/ https://www.ncbi.nlm.nih.gov/pubmed/26396778 http://dx.doi.org/10.1107/S2056989015013675 |
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author | Iqbal, Mohammad Raftery, James Quayle, Peter |
author_facet | Iqbal, Mohammad Raftery, James Quayle, Peter |
author_sort | Iqbal, Mohammad |
collection | PubMed |
description | The title copper(II) complex, {(C(27)H(37)N(2))[Cu(4)(CH(3)COO)(8)Cl]·3CH(2)Cl(2)}(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 μ(2)-bidentate acetate and one μ(3)-tridentate acetate ligands per binuclear paddle-wheel complex. Both Cu(II) 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 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 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. |
format | Online Article Text |
id | pubmed-4571378 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45713782015-09-22 Crystal structure of catena-poly[hemi[1,3-bis(2,6-diisopropylphenyl)imidazolium] [[μ(3)-acetato-κ(3) O:O:O′-tri-μ(2)-acetato-κ(6) O:O′-dicopper(II)(Cu—Cu)]-μ-chlorido] dichloromethane sesquisolvate] Iqbal, Mohammad Raftery, James Quayle, Peter Acta Crystallogr E Crystallogr Commun Data Reports The title copper(II) complex, {(C(27)H(37)N(2))[Cu(4)(CH(3)COO)(8)Cl]·3CH(2)Cl(2)}(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 μ(2)-bidentate acetate and one μ(3)-tridentate acetate ligands per binuclear paddle-wheel complex. Both Cu(II) 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 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 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. International Union of Crystallography 2015-07-25 /pmc/articles/PMC4571378/ /pubmed/26396778 http://dx.doi.org/10.1107/S2056989015013675 Text en © Iqbal et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Iqbal, Mohammad Raftery, James Quayle, Peter Crystal structure of catena-poly[hemi[1,3-bis(2,6-diisopropylphenyl)imidazolium] [[μ(3)-acetato-κ(3) O:O:O′-tri-μ(2)-acetato-κ(6) O:O′-dicopper(II)(Cu—Cu)]-μ-chlorido] dichloromethane sesquisolvate] |
title | Crystal structure of catena-poly[hemi[1,3-bis(2,6-diisopropylphenyl)imidazolium] [[μ(3)-acetato-κ(3)
O:O:O′-tri-μ(2)-acetato-κ(6)
O:O′-dicopper(II)(Cu—Cu)]-μ-chlorido] dichloromethane sesquisolvate] |
title_full | Crystal structure of catena-poly[hemi[1,3-bis(2,6-diisopropylphenyl)imidazolium] [[μ(3)-acetato-κ(3)
O:O:O′-tri-μ(2)-acetato-κ(6)
O:O′-dicopper(II)(Cu—Cu)]-μ-chlorido] dichloromethane sesquisolvate] |
title_fullStr | Crystal structure of catena-poly[hemi[1,3-bis(2,6-diisopropylphenyl)imidazolium] [[μ(3)-acetato-κ(3)
O:O:O′-tri-μ(2)-acetato-κ(6)
O:O′-dicopper(II)(Cu—Cu)]-μ-chlorido] dichloromethane sesquisolvate] |
title_full_unstemmed | Crystal structure of catena-poly[hemi[1,3-bis(2,6-diisopropylphenyl)imidazolium] [[μ(3)-acetato-κ(3)
O:O:O′-tri-μ(2)-acetato-κ(6)
O:O′-dicopper(II)(Cu—Cu)]-μ-chlorido] dichloromethane sesquisolvate] |
title_short | Crystal structure of catena-poly[hemi[1,3-bis(2,6-diisopropylphenyl)imidazolium] [[μ(3)-acetato-κ(3)
O:O:O′-tri-μ(2)-acetato-κ(6)
O:O′-dicopper(II)(Cu—Cu)]-μ-chlorido] dichloromethane sesquisolvate] |
title_sort | crystal structure of catena-poly[hemi[1,3-bis(2,6-diisopropylphenyl)imidazolium] [[μ(3)-acetato-κ(3)
o:o:o′-tri-μ(2)-acetato-κ(6)
o:o′-dicopper(ii)(cu—cu)]-μ-chlorido] dichloromethane sesquisolvate] |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571378/ https://www.ncbi.nlm.nih.gov/pubmed/26396778 http://dx.doi.org/10.1107/S2056989015013675 |
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