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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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Autores principales: Iqbal, Mohammad, Raftery, James, Quayle, Peter
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
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.
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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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