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Hydrothermal Synthesis of a Three-dimensional Supramolecular [Cd(C_2O_4)(H_2O)_2]·H2O and Crystal Structure

Ping Zhang

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Abstract

A 3D supramolecular [Cd(C_2O_4)(H_2O)_2]·H2O(1) was synthesized under the hydrothermal condition.Its structure was determined by single crystal X-ray diffraction analysis,and further characterized by XRD,ICP,IR,TG and elemental analysis.The title compound crystallizes in triclinic space group P-1,with a=0.60109(12)nm,b=0.66607(13)nm,c=0.84987(17)nm,α=74.72(3)°,β=74.33(3)°,γ=81.07(3)°,V=0.31473(11)nm3,Z=2,R1=0.015,ωR2=0.0368.The cadmium(Ⅱ) atoms in the compound 1 are in a seven-coordinate environment of five oxalate and two water oxygens.The coordination geometry about each metal atom is approximately that of a pentagonal bipyramid with a water and an oxalate oxygen in the apical positions.The crystal structure consists of two-dimensional arrays formed by the [Cd2(C2O4)2(H2O)4]·2H2O repeat unit.Layers are further interlinked via hydrogen bonds between oxygen atoms and waters to form three-dimensional supramolecular.The TGA-DTA data shows the compound 1 has good thermal stability.

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What this paper is about

A 3D supramolecular [Cd(C_2O_4)(H_2O)_2]·H2O(1) was synthesized under the hydrothermal condition.Its structure was determined by single crystal X-ray diffraction analysis,and further characterized by XRD,ICP,IR,TG and elemental analysis.The title compound crystallizes in triclinic space group P-1,with a=0.60109(12)nm,b=0.66607(13)nm,c=0.84987(17)nm,α=74.72(3)°,β=74.33(3)°,γ=81.07(3)°,V=0.31473(11)nm3,Z=2,R1=0.015,ωR2=0.0368.The cadmium(Ⅱ) atoms in the compound 1 are in a seven-coordinate environment of five oxalate and two water oxygens.The coordination geometry about each metal atom is approximately that of a pentagonal bipyramid with a water and an oxalate oxygen in the apical positions.The crystal structure consists of two-dimensional arrays formed by the [Cd2(C2O4)2(H2O)4]·2H2O repeat unit.Layers are further interlinked via hydrogen bonds between oxygen atoms and waters to form three-dimensional supramolecular.The TGA-DTA data shows the compound 1 has good thermal stability.

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Available abstract

A 3D supramolecular [Cd(C_2O_4)(H_2O)_2]·H2O(1) was synthesized under the hydrothermal condition.Its structure was determined by single crystal X-ray diffraction analysis,and further characterized by XRD,ICP,IR,TG and elemental analysis.The title compound crystallizes in triclinic space group P-1,with a=0.60109(12)nm,b=0.66607(13)nm,c=0.84987(17)nm,α=74.72(3)°,β=74.33(3)°,γ=81.07(3)°,V=0.31473(11)nm3,Z=2,R1=0.015,ωR2=0.0368.The cadmium(Ⅱ) atoms in the compound 1 are in a seven-coordinate environment of five oxalate and two water oxygens.The coordination geometry about each metal atom is approximately that of a pentagonal bipyramid with a water and an oxalate oxygen in the apical positions.The crystal structure consists of two-dimensional arrays formed by the [Cd2(C2O4)2(H2O)4]·2H2O repeat unit.Layers are further interlinked via hydrogen bonds between oxygen atoms and waters to form three-dimensional supramolecular.The TGA-DTA data shows the compound 1 has good thermal stability.

Key concepts: Triclinic crystal system, Crystallography, Supramolecular chemistry, Pentagonal bipyramidal molecular geometry, Crystal structure, Hydrothermal synthesis, Oxalate, Hydrogen bond

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