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Crystal Structure and Hydrogen Bonding Weak Interactions of Compound Zn(H_2O)_4(4-PDC)_2

Yao Jing-cai

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Abstract

A Zinc complex Zn(H_2O)_4(4-PDC)_2 [4-PDC =4-pyridinecarboxylate] has been synthesized and characterized by X-ray structural analysis,crystal data: M = 381.66,triclinic,space group P-1,a = 0.63421(7)nm,b =0.69179(5)nm, c =0.92802(8)nm,α= 96.227(8)°,β= 104.979(7)°,γ = 112.872(7)°,V = 352.27(6)cm -3 Z =1,Dc=2.195g cm -3 ,T = 293(2),λ = 0.071073nm,μ(MoKa) = 1.797 mm -1 ,R_1= 0.0219,wR_2=0.0622. Each Zn(II) ion is a hexacoordinated with a distorted tetragonal-bipyramidal geometry,A X-ray crystal study indicated that a two-dimensional hydrogen-bond network is formed in the complex on direction of chain and interchain by means of O...H-O hydrogen bonding.

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What this paper is about

A Zinc complex Zn(H_2O)_4(4-PDC)_2 [4-PDC =4-pyridinecarboxylate] has been synthesized and characterized by X-ray structural analysis,crystal data: M = 381.66,triclinic,space group P-1,a = 0.63421(7)nm,b =0.69179(5)nm, c =0.92802(8)nm,α= 96.227(8)°,β= 104.979(7)°,γ = 112.872(7)°,V = 352.27(6)cm -3 Z =1,Dc=2.195g cm -3 ,T = 293(2),λ = 0.071073nm,μ(MoKa) = 1.797 mm -1 ,R_1= 0.0219,wR_2=0.0622. Each Zn(II) ion is a hexacoordinated with a distorted tetragonal-bipyramidal geometry,A X-ray crystal study indicated that a two-dimensional hydrogen-bond network is formed in the complex on direction of chain and interchain by means of O...H-O hydrogen bonding.

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Available abstract

A Zinc complex Zn(H_2O)_4(4-PDC)_2 [4-PDC =4-pyridinecarboxylate] has been synthesized and characterized by X-ray structural analysis,crystal data: M = 381.66,triclinic,space group P-1,a = 0.63421(7)nm,b =0.69179(5)nm, c =0.92802(8)nm,α= 96.227(8)°,β= 104.979(7)°,γ = 112.872(7)°,V = 352.27(6)cm -3 Z =1,Dc=2.195g cm -3 ,T = 293(2),λ = 0.071073nm,μ(MoKa) = 1.797 mm -1 ,R_1= 0.0219,wR_2=0.0622. Each Zn(II) ion is a hexacoordinated with a distorted tetragonal-bipyramidal geometry,A X-ray crystal study indicated that a two-dimensional hydrogen-bond network is formed in the complex on direction of chain and interchain by means of O...H-O hydrogen bonding.

Key concepts: Triclinic crystal system, Crystallography, Hydrogen bond, Crystal structure, Tetragonal crystal system, Chemistry, Bipyramid, Trigonal bipyramidal molecular geometry

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