Coordination networks of Cu2+ ions with 1,3-bis[2-(4-pyridyl)ethyl]benzene: strong structure-directing role of the counter ion (nitrate, acetate and sulphate), leading to clusters, sheets and chains

M. John Plater, Ben M. De Silva, Mark R. St J. Foreman, William T. A. Harrison

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Abstract

The crystal structures of three compounds formed from the crystallisation of different copper(II) salts (nitrate, acetate and sulphate) with the new ligand 1,3-bis[2-(4-pyridyl)ethyl]-benzene, C20H20N2 (L) are reported. The anion is incorporated into each structure, but it plays a completely different role in each case: [Cu2L4(NO3)(H2O)2]·3(NO3) (1) contains discrete ‘paddlewheel’ bimetallic clusters incorporating a nitrate ion at their centres. [Cu2L(Ac)3(OH)]n (2) contains unusual tetra-metallic clusters in which the acetate ions display three different coordination modes: the L ligands link the clusters into (100) sheets. [CuL2(SO4)]n·2n(H2O) (3) contains looped [0 1 0] chains in which both the L ligands and sulphate ions bridge adjacent metal ions. Crystal data: 1, C80H84Cu2N12O14, Mr = 1564.67, tetragonal, space group I4/m, a = 15.2358 (4) Å, c = 16.5372 (6) Å, V = 3838.8 (2) Å3, Z = 2, R(F) = 0.054, wR(F2) = 0.142. 2, C26H30Cu2N2O7, Mr = 609.60, monoclinic, space group P21/c, a = 15.9076 (6) Å, b = 11.8299 (4) Å, c = 14.4234 (4) Å, β = 107.646 (1)°, V = 2586.56 (15) Å3, Z = 4, R(F) = 0.043, wR(F2) = 0.109. 3, C40H44CuN4O6S, Mr = 772.39, triclinic, space group View the MathML source, a = 10.513 (2) Å, b = 12.925 (4) Å, c = 14.769 (4) Å, α = 91.126 (11)°, β = 109.749 (9)°, γ = 100.658 (9)°, V = 1848.9 (8) Å3, Z = 2, R(F) = 0.108, wR(F2) = 0.274.
Original languageEnglish
Pages (from-to)496-502
Number of pages7
JournalPolyhedron
Volume102
Early online date24 Oct 2015
DOIs
Publication statusPublished - 14 Dec 2015

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Radiation counters
Ethylbenzene
Nitrates
Sulfates
nitrates
acetates
sulfates
counters
Acetates
Ligands
benzene
Ions
ligands
ions
Crystallization
Anions
Metal ions
Copper
metal ions
Negative ions

Keywords

  • cluster
  • coordination polymer
  • flexible ligand
  • copper
  • crystal structure

Cite this

@article{5b723d3c209640b2b4209211684247a9,
title = "Coordination networks of Cu2+ ions with 1,3-bis[2-(4-pyridyl)ethyl]benzene: strong structure-directing role of the counter ion (nitrate, acetate and sulphate), leading to clusters, sheets and chains",
abstract = "The crystal structures of three compounds formed from the crystallisation of different copper(II) salts (nitrate, acetate and sulphate) with the new ligand 1,3-bis[2-(4-pyridyl)ethyl]-benzene, C20H20N2 (L) are reported. The anion is incorporated into each structure, but it plays a completely different role in each case: [Cu2L4(NO3)(H2O)2]·3(NO3) (1) contains discrete ‘paddlewheel’ bimetallic clusters incorporating a nitrate ion at their centres. [Cu2L(Ac)3(OH)]n (2) contains unusual tetra-metallic clusters in which the acetate ions display three different coordination modes: the L ligands link the clusters into (100) sheets. [CuL2(SO4)]n·2n(H2O) (3) contains looped [0 1 0] chains in which both the L ligands and sulphate ions bridge adjacent metal ions. Crystal data: 1, C80H84Cu2N12O14, Mr = 1564.67, tetragonal, space group I4/m, a = 15.2358 (4) {\AA}, c = 16.5372 (6) {\AA}, V = 3838.8 (2) {\AA}3, Z = 2, R(F) = 0.054, wR(F2) = 0.142. 2, C26H30Cu2N2O7, Mr = 609.60, monoclinic, space group P21/c, a = 15.9076 (6) {\AA}, b = 11.8299 (4) {\AA}, c = 14.4234 (4) {\AA}, β = 107.646 (1)°, V = 2586.56 (15) {\AA}3, Z = 4, R(F) = 0.043, wR(F2) = 0.109. 3, C40H44CuN4O6S, Mr = 772.39, triclinic, space group View the MathML source, a = 10.513 (2) {\AA}, b = 12.925 (4) {\AA}, c = 14.769 (4) {\AA}, α = 91.126 (11)°, β = 109.749 (9)°, γ = 100.658 (9)°, V = 1848.9 (8) {\AA}3, Z = 2, R(F) = 0.108, wR(F2) = 0.274.",
keywords = "cluster, coordination polymer, flexible ligand, copper, crystal structure",
author = "Plater, {M. John} and {De Silva}, {Ben M.} and Foreman, {Mark R. St J.} and Harrison, {William T. A.}",
note = "Date of Acceptance: 16/10/2015 Acknowledgements We thank the EPSRC National Mass Spectrometry Facility (University of Swansea) for the high-resolution mass spectrometry data and the EPSRC National Crystallography Service (University of Southampton) for the X-ray data collections and preliminary structural analyses.",
year = "2015",
month = "12",
day = "14",
doi = "10.1016/j.poly.2015.10.023",
language = "English",
volume = "102",
pages = "496--502",
journal = "Polyhedron",
issn = "0277-5387",
publisher = "Elsevier Limited",

}

TY - JOUR

T1 - Coordination networks of Cu2+ ions with 1,3-bis[2-(4-pyridyl)ethyl]benzene

T2 - strong structure-directing role of the counter ion (nitrate, acetate and sulphate), leading to clusters, sheets and chains

AU - Plater, M. John

AU - De Silva, Ben M.

AU - Foreman, Mark R. St J.

AU - Harrison, William T. A.

N1 - Date of Acceptance: 16/10/2015 Acknowledgements We thank the EPSRC National Mass Spectrometry Facility (University of Swansea) for the high-resolution mass spectrometry data and the EPSRC National Crystallography Service (University of Southampton) for the X-ray data collections and preliminary structural analyses.

PY - 2015/12/14

Y1 - 2015/12/14

N2 - The crystal structures of three compounds formed from the crystallisation of different copper(II) salts (nitrate, acetate and sulphate) with the new ligand 1,3-bis[2-(4-pyridyl)ethyl]-benzene, C20H20N2 (L) are reported. The anion is incorporated into each structure, but it plays a completely different role in each case: [Cu2L4(NO3)(H2O)2]·3(NO3) (1) contains discrete ‘paddlewheel’ bimetallic clusters incorporating a nitrate ion at their centres. [Cu2L(Ac)3(OH)]n (2) contains unusual tetra-metallic clusters in which the acetate ions display three different coordination modes: the L ligands link the clusters into (100) sheets. [CuL2(SO4)]n·2n(H2O) (3) contains looped [0 1 0] chains in which both the L ligands and sulphate ions bridge adjacent metal ions. Crystal data: 1, C80H84Cu2N12O14, Mr = 1564.67, tetragonal, space group I4/m, a = 15.2358 (4) Å, c = 16.5372 (6) Å, V = 3838.8 (2) Å3, Z = 2, R(F) = 0.054, wR(F2) = 0.142. 2, C26H30Cu2N2O7, Mr = 609.60, monoclinic, space group P21/c, a = 15.9076 (6) Å, b = 11.8299 (4) Å, c = 14.4234 (4) Å, β = 107.646 (1)°, V = 2586.56 (15) Å3, Z = 4, R(F) = 0.043, wR(F2) = 0.109. 3, C40H44CuN4O6S, Mr = 772.39, triclinic, space group View the MathML source, a = 10.513 (2) Å, b = 12.925 (4) Å, c = 14.769 (4) Å, α = 91.126 (11)°, β = 109.749 (9)°, γ = 100.658 (9)°, V = 1848.9 (8) Å3, Z = 2, R(F) = 0.108, wR(F2) = 0.274.

AB - The crystal structures of three compounds formed from the crystallisation of different copper(II) salts (nitrate, acetate and sulphate) with the new ligand 1,3-bis[2-(4-pyridyl)ethyl]-benzene, C20H20N2 (L) are reported. The anion is incorporated into each structure, but it plays a completely different role in each case: [Cu2L4(NO3)(H2O)2]·3(NO3) (1) contains discrete ‘paddlewheel’ bimetallic clusters incorporating a nitrate ion at their centres. [Cu2L(Ac)3(OH)]n (2) contains unusual tetra-metallic clusters in which the acetate ions display three different coordination modes: the L ligands link the clusters into (100) sheets. [CuL2(SO4)]n·2n(H2O) (3) contains looped [0 1 0] chains in which both the L ligands and sulphate ions bridge adjacent metal ions. Crystal data: 1, C80H84Cu2N12O14, Mr = 1564.67, tetragonal, space group I4/m, a = 15.2358 (4) Å, c = 16.5372 (6) Å, V = 3838.8 (2) Å3, Z = 2, R(F) = 0.054, wR(F2) = 0.142. 2, C26H30Cu2N2O7, Mr = 609.60, monoclinic, space group P21/c, a = 15.9076 (6) Å, b = 11.8299 (4) Å, c = 14.4234 (4) Å, β = 107.646 (1)°, V = 2586.56 (15) Å3, Z = 4, R(F) = 0.043, wR(F2) = 0.109. 3, C40H44CuN4O6S, Mr = 772.39, triclinic, space group View the MathML source, a = 10.513 (2) Å, b = 12.925 (4) Å, c = 14.769 (4) Å, α = 91.126 (11)°, β = 109.749 (9)°, γ = 100.658 (9)°, V = 1848.9 (8) Å3, Z = 2, R(F) = 0.108, wR(F2) = 0.274.

KW - cluster

KW - coordination polymer

KW - flexible ligand

KW - copper

KW - crystal structure

U2 - 10.1016/j.poly.2015.10.023

DO - 10.1016/j.poly.2015.10.023

M3 - Article

VL - 102

SP - 496

EP - 502

JO - Polyhedron

JF - Polyhedron

SN - 0277-5387

ER -