SYNTHESIS, CRYSTAL STRUCTURE AND MAGNETIC PROPERTIES OF A THIOCYANATE BRIDGED ONE-DIMENSIONAL CHAIN COPPER(II) COMPLEX: {[(232-tet)Cu(NCS)](C104)}n
Huai‐Ming Hu, Xiao‐Ying Huang, Hongsui Sun, De‐Liang Long, Jin‐Shun Huang, Xiao‐Zeng You
Abstract
Huai‐Ming Hu, Xiao‐Ying Huang, Hongsui Sun, De‐Liang Long, Jin‐Shun Huang, Xiao‐Zeng You
Abstract
A thiocyanate bridged one-dimensional chain copper(II) complex, {[(232-tet)Cu(NCS)]-(C104)} n , where 232-tet = N,N'-bis(2-aminoethyl)-l,3-propanediamine, has been synthesised and its crystal structure determined at room temperature. This complex crystallises in the orthorhombic system, space group Pca21, with a = 23.565(3), b = 9.011(2), c= 14.290(3)Å and Z = 4. Least-squares refinement of the structure leads to conventional R 1 and wR 2 factors of 0.052 and 0.142. The asymmetric unit consists of two [(232-tet)Cu(NCS)]+ units and two per-chlorate anions. The two symmetric independent [(232-tet)Cu(NCS)]+ units form two different chains in the crystal lattice. The intrachain copper(II)-copper(lI) separations are 7.282(5) [Cu(l)-Cu(l)a, a: 1.5 - x, y, 0.5+ z] and 7.334(5)Å [Cu(2)-Cu(2)b, b: 1-x,1-y,0.5 + z], respectively. The interchain copper(II)-copper(II) separation is 6.870(5) Å [Cu(l)-Cu(2)b, b: 1 — x, 1 —y, 0.5+ z]. The coordination environments of the two Cu(II) atoms are similar. Each Cu(II) atom is (4+ 1 +1′) coordinated in a distorted, elongated, tetragonal octahedron with four N atoms of the 232-tet ligand in the equatorial positions and one N atom of the thiocyanate and one S atom of the other thiocyanate in the axial positions. The ESR spectrum appeared to show axial symmetry with g⊺ = 2.05 and g‖ = 2.16. Variable temperature magnetic susceptibility shows that there is a weak antiferromagnetic interactions in intrachains.
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A thiocyanate bridged one-dimensional chain copper(II) complex, {[(232-tet)Cu(NCS)]-(C104)} n , where 232-tet = N,N'-bis(2-aminoethyl)-l,3-propanediamine, has been synthesised and its crystal structure determined at room temperature. This complex crystallises in the orthorhombic system, space group Pca21, with a = 23.565(3), b = 9.011(2), c= 14.290(3)Å and Z = 4. Least-squares refinement of the structure leads to conventional R 1 and wR 2 factors of 0.052 and 0.142. The asymmetric unit consists of two [(232-tet)Cu(NCS)]+ units and two per-chlorate anions. The two symmetric independent [(232-tet)Cu(NCS)]+ units form two different chains in the crystal lattice. The intrachain copper(II)-copper(lI) separations are 7.282(5) [Cu(l)-Cu(l)a, a: 1.5 - x, y, 0.5+ z] and 7.334(5)Å [Cu(2)-Cu(2)b, b: 1-x,1-y,0.5 + z], respectively. The interchain copper(II)-copper(II) separation is 6.870(5) Å [Cu(l)-Cu(2)b, b: 1 — x, 1 —y, 0.5+ z]. The coordination environments of the two Cu(II) atoms are similar. Each Cu(II) atom is (4+ 1 +1′) coordinated in a distorted, elongated, tetragonal octahedron with four N atoms of the 232-tet ligand in the equatorial positions and one N atom of the thiocyanate and one S atom of the other thiocyanate in the axial positions. The ESR spectrum appeared to show axial symmetry with g⊺ = 2.05 and g‖ = 2.16. Variable temperature magnetic susceptibility shows that there is a weak antiferromagnetic interactions in intrachains.
Key concepts: Chemistry, Thiocyanate, Crystallography, Copper, Orthorhombic crystal system, Crystal structure, Octahedron, Tetragonal crystal system