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Synthesis and Crystal Structure of [Cu(C_8H_6ClO_3)_2(H_2O)_2]

Yong‐Hong Zhou

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Abstract

A new metal-organic complex [Cu(C8H6ClO3)2(H2O)2](C8H6ClO3=p-chlorophenoxyacetate) 1 has been synthesized by the reaction of Cu(NO3)2·3H2O with p-chlorophenoxyacetic acid.The synthesized complex was characterized by means of single-crystal X-ray diffraction,elemental analysis and infrared spectrometry.It has been found that the complex belongs to triclinic crystal system and has space group Pī with a=0.511 46(6) nm,b=0.706 40(8) nm,c = 1.326 410(15) nm,α = 81.777 0(10)°,β = 86.361(2)°,γ = 76.397 0(10)°,V = 0.460 77(8) nm3,Mr = 470.73,Dc = 1.696 g/cm3,F(000) = 239,Z = 1;and final R = 0.026 4,wR = 0.067 4 for 1 434 observed reflections(I 2σ(I)).In terms of the crystal structure,copper ion is six-coordinated with two carboxyl oxygen atoms plus two phenoxyl oxygen atoms of two different p-chlorophenoxyacetate and two oxygen atoms of two water molecules,showing a distorted octahedral geometry.

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What this paper is about

A new metal-organic complex [Cu(C8H6ClO3)2(H2O)2](C8H6ClO3=p-chlorophenoxyacetate) 1 has been synthesized by the reaction of Cu(NO3)2·3H2O with p-chlorophenoxyacetic acid.The synthesized complex was characterized by means of single-crystal X-ray diffraction,elemental analysis and infrared spectrometry.It has been found that the complex belongs to triclinic crystal system and has space group Pī with a=0.511 46(6) nm,b=0.706 40(8) nm,c = 1.326 410(15) nm,α = 81.777 0(10)°,β = 86.361(2)°,γ = 76.397 0(10)°,V = 0.460 77(8) nm3,Mr = 470.73,Dc = 1.696 g/cm3,F(000) = 239,Z = 1;and final R = 0.026 4,wR = 0.067 4 for 1 434 observed reflections(I 2σ(I)).In terms of the crystal structure,copper ion is six-coordinated with two carboxyl oxygen atoms plus two phenoxyl oxygen atoms of two different p-chlorophenoxyacetate and two oxygen atoms of two water molecules,showing a distorted octahedral geometry.

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Available abstract

A new metal-organic complex [Cu(C8H6ClO3)2(H2O)2](C8H6ClO3=p-chlorophenoxyacetate) 1 has been synthesized by the reaction of Cu(NO3)2·3H2O with p-chlorophenoxyacetic acid.The synthesized complex was characterized by means of single-crystal X-ray diffraction,elemental analysis and infrared spectrometry.It has been found that the complex belongs to triclinic crystal system and has space group Pī with a=0.511 46(6) nm,b=0.706 40(8) nm,c = 1.326 410(15) nm,α = 81.777 0(10)°,β = 86.361(2)°,γ = 76.397 0(10)°,V = 0.460 77(8) nm3,Mr = 470.73,Dc = 1.696 g/cm3,F(000) = 239,Z = 1;and final R = 0.026 4,wR = 0.067 4 for 1 434 observed reflections(I 2σ(I)).In terms of the crystal structure,copper ion is six-coordinated with two carboxyl oxygen atoms plus two phenoxyl oxygen atoms of two different p-chlorophenoxyacetate and two oxygen atoms of two water molecules,showing a distorted octahedral geometry.

Key concepts: Triclinic crystal system, Crystallography, Crystal structure, Chemistry, Molecule, Octahedron, Copper, Single crystal

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