Crystal Structure of the Complex of Protonated 24-Mcmbcred Hexaaza-dioxa Macrocycle LH4+4 with Hcxaisothiocyanatocobalt(Ⅱ)

Abstract

Abstract: Anew complex of protonated 24-membered hexaaza-dioxa macrocycle LH₄⁴⁺ with hex-aisothiocyanatocobalt( Ⅱ ) was synthesized and the crystal structure of [C₁₆H₄₂N₆O₂][Co(NCS)₆] · Co (NO₃)₂ · 4H₂O was determined. It crystallizes in the triclinic system, space group P1(a = 7. 992(1)Å, 6=11. 007(2)Å, c-=27. 328(2)Å, a = 79. 01(2)°, β=81. 57(2)°, γ= 68. 70(2)°, V = 2190. 9Å³, Z=2). The protonated macrocycle L in the complex is in a boat type conformation. Comparing IR and NMR of the free protonated macrocycle L with those of the macrocycle L in the complex, it is proved that the conformation of the free protonated macrocycle L is the same as that of the macrocycle Lin the complex. The results obtained provide a basis for study of catalytic mechanism in supermolecule.The six-coordinated isothiocyanatocobalt complex anion [Co(NCS)₆]^-4 is rare in the literature. Its structure is octahedral.

Key words: Crystal structure, Macrocycle compound, Complex

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Jiang Zonghui, Wang Genglin, Yao Xinkan, Wang Honggen, Wang Ruji. Crystal Structure of the Complex of Protonated 24-Mcmbcred Hexaaza-dioxa Macrocycle LH₄⁺⁴ with Hcxaisothiocyanatocobalt(Ⅱ)[J]. Chem. J. Chinese Universities, 1990, 11(6): 660.

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Crystal Structure of the Complex of Protonated 24-Mcmbcred Hexaaza-dioxa Macrocycle LH₄⁺⁴ with Hcxaisothiocyanatocobalt(Ⅱ)

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