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Hydrothermal synthesis and crystal structure of a 3-D supermolecular structure [Zn(C_6H_4O_2N)_2·(H_2O)_4]_n

Qiao-Yun Du, Peilin Han

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Abstract

A supermolecular compound has been synthesized by reaction of picolinic acid and ZnCl_2·6H_2O,and its structure was determined by means of single-crystal X-ray diffraction.The crystal was monoclinic system with P2(1)/n space group.The cell parameters were:a=9.836(2)?,b=5.2256(10)?,c=14.611(3)?,Mr=381.64,β=90.01(3)°,V=751.0(3)?~3,(Z=2),Dc=1.688Mg·m~(-3),F(000)=392,μ=1.680mm~(-1),(R=0.0258),wR=0.0612.It consisted of [Zn(C_6H_4O_2N)_2·(H_2O)_4]units in which the Zn(Ⅱ)ion was located in a slightly distorted octahedral center,each unit was connected by the(OH…O) hydrogen bonds to form a three-dimensional network structure.

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What this paper is about

A supermolecular compound has been synthesized by reaction of picolinic acid and ZnCl_2·6H_2O,and its structure was determined by means of single-crystal X-ray diffraction.The crystal was monoclinic system with P2(1)/n space group.The cell parameters were:a=9.836(2)?,b=5.2256(10)?,c=14.611(3)?,Mr=381.64,β=90.01(3)°,V=751.0(3)?~3,(Z=2),Dc=1.688Mg·m~(-3),F(000)=392,μ=1.680mm~(-1),(R=0.0258),wR=0.0612.It consisted of [Zn(C_6H_4O_2N)_2·(H_2O)_4]units in which the Zn(Ⅱ)ion was located in a slightly distorted octahedral center,each unit was connected by the(OH…O) hydrogen bonds to form a three-dimensional network structure.

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Available abstract

A supermolecular compound has been synthesized by reaction of picolinic acid and ZnCl_2·6H_2O,and its structure was determined by means of single-crystal X-ray diffraction.The crystal was monoclinic system with P2(1)/n space group.The cell parameters were:a=9.836(2)?,b=5.2256(10)?,c=14.611(3)?,Mr=381.64,β=90.01(3)°,V=751.0(3)?~3,(Z=2),Dc=1.688Mg·m~(-3),F(000)=392,μ=1.680mm~(-1),(R=0.0258),wR=0.0612.It consisted of [Zn(C_6H_4O_2N)_2·(H_2O)_4]units in which the Zn(Ⅱ)ion was located in a slightly distorted octahedral center,each unit was connected by the(OH…O) hydrogen bonds to form a three-dimensional network structure.

Key concepts: Monoclinic crystal system, Chemistry, Crystal structure, Crystallography, Octahedron, Picolinic acid, Hydrogen bond, Hydrothermal synthesis

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