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STUDY OF SYNTHESIS AND CRYSTAL STRUCTURE OF THE COMPLEX [Cu(C_8H_4F_3O_2S)_2(C_(12)H_8N_2)]·C_3H_(6)O

Wen Zhang, 旭光 鄭

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Abstract

A complex of Cu(Ⅱ) with 4,4,4 trifluoro 1 (2 thiophene) 1,3 butanedione and phenanthroline was prepared and crystallized from an acetone solution. The green and transparent crystal obtained conformed to the empirrcal formula of [Cu(C 8H 4F 3O 2S) 2(C 12 H 8N 2)]·C 3H 6O. The above mentined crystal was proved by diffraction experiments to be of triclinic system having its space group P1. The following crystal cell parameters were also determined∶a=10.577(3)?, b =15.722(4)?, c =10.133(2)?, α =94.53(2)°, β =100.81(2)°, γ =96.18(2)°, V =1637.03? 3, z =2, Mr=744.18, Dx=1.51mg·m -3 , F(000)=526, μ =8.24cm -1 . Among the data of 4499 individual diffraction points, 1938 points having I≥3σ(Ⅰ) were taken in the structural analysis, and the final deviation factors were found to be R =0.083 and Rw=0.074. Each of the copper(Ⅱ) ion in the complex was bonded with two molecules of 4,4,4 trifluoro 1 (2 thiophene) 1,3 butanedione through 4 oxygen atoms (i.e. Cu O) and with one molecule of phenanthroline through 2 nitrogen atoms (i.e. Cu N) forming a distorted octahedral geometrical structure.

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A complex of Cu(Ⅱ) with 4,4,4 trifluoro 1 (2 thiophene) 1,3 butanedione and phenanthroline was prepared and crystallized from an acetone solution. The green and transparent crystal obtained conformed to the empirrcal formula of [Cu(C 8H 4F 3O 2S) 2(C 12 H 8N 2)]·C 3H 6O. The above mentined crystal was proved by diffraction experiments to be of triclinic system having its space group P1. The following crystal cell parameters were also determined∶a=10.577(3)?, b =15.722(4)?, c =10.133(2)?, α =94.53(2)°, β =100.81(2)°, γ =96.18(2)°, V =1637.03? 3, z =2, Mr=744.18, Dx=1.51mg·m -3 , F(000)=526, μ =8.24cm -1 . Among the data of 4499 individual diffraction points, 1938 points having I≥3σ(Ⅰ) were taken in the structural analysis, and the final deviation factors were found to be R =0.083 and Rw=0.074. Each of the copper(Ⅱ) ion in the complex was bonded with two molecules of 4,4,4 trifluoro 1 (2 thiophene) 1,3 butanedione through 4 oxygen atoms (i.e. Cu O) and with one molecule of phenanthroline through 2 nitrogen atoms (i.e. Cu N) forming a distorted octahedral geometrical structure.

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Available abstract

A complex of Cu(Ⅱ) with 4,4,4 trifluoro 1 (2 thiophene) 1,3 butanedione and phenanthroline was prepared and crystallized from an acetone solution. The green and transparent crystal obtained conformed to the empirrcal formula of [Cu(C 8H 4F 3O 2S) 2(C 12 H 8N 2)]·C 3H 6O. The above mentined crystal was proved by diffraction experiments to be of triclinic system having its space group P1. The following crystal cell parameters were also determined∶a=10.577(3)?, b =15.722(4)?, c =10.133(2)?, α =94.53(2)°, β =100.81(2)°, γ =96.18(2)°, V =1637.03? 3, z =2, Mr=744.18, Dx=1.51mg·m -3 , F(000)=526, μ =8.24cm -1 . Among the data of 4499 individual diffraction points, 1938 points having I≥3σ(Ⅰ) were taken in the structural analysis, and the final deviation factors were found to be R =0.083 and Rw=0.074. Each of the copper(Ⅱ) ion in the complex was bonded with two molecules of 4,4,4 trifluoro 1 (2 thiophene) 1,3 butanedione through 4 oxygen atoms (i.e. Cu O) and with one molecule of phenanthroline through 2 nitrogen atoms (i.e. Cu N) forming a distorted octahedral geometrical structure.

Key concepts: Triclinic crystal system, Crystallography, Octahedron, Crystal structure, Thiophene, Molecule, Phenanthroline, Chemistry

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STUDY OF SYNTHESIS AND CRYSTAL STRUCTURE OF THE COMPLEX [Cu(C_8H_4F_3O_2S)_2(C_(12)H_8N_2)]·C_3H_(6)O — Research Paper | ScholarLens