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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 40, Number 7
JKCSEZ 40(7)
February 20, 1996 
 
Title
 Crystal Structure of the Three-Dimensional Metal Complex Inclusion Compound Clathrated Nitrobenzene Guest

Nitrobenzene을 guest로 포접한 3차원 금속착제 포접화합물의 결정구조
Author
 Ki-Min Park, Sang-Yun Park, Uk Lee, Toschitake Iwamoto

박기민,박상윤,이욱,토시다케 이와모토
Keywords
Abstract
 3차원 금속착체 포접화합물 Cd(pn)Ni(CN)4·0.5NO2C6H5(pn: 1,2-diaminopropane=propylenediamine)은 사방정계 공간군 Pn21a로, a=13.868(5), b=26.591(4), c=7.840(1)Å, V=2891(1)Å3, Z=4이며, 2800개의 독립적인 회절반점에 대한 R값은 0.054이다. 이 포접화합물의 host구조는 가지 달린 지방족 guest분자를 포접한 포접화합물의 host 구조(T-type)와 같다. Nitrobenzene guest 분자는 T-type의 nodal형 턴넬속에 안정하게 포접되는데, 이는 node 위치에 pn-amino group이 놓이고, antinode 위치에 부피가 큰 방향족 고리가 놓이며, 이들 사이에 극성인 nitro group이 있기 때문이다. 턴넬형의 포접공간을 갖는 금속착체 Cd(pn)Ni(CN)4의 host 구조가 가지 달린 방향족 guest 분자를 포접하고 있다.

The three-dimensional metal complex inclusion compound Cd(pn)Ni(CN)4·0.5NO2C6H5(pn: 1,2-diaminopropane=propylenediamine) crystallizes in the orthorhombic space group, Pn21a, (a=13.868(5), b=26.591(4), c=7.840(1)Å, V=2891(1)Å3, Z=4), R=0.054 for 2800 independent reflections. The host structure of the inclusion compound appears the same one(T-type) of inclusion compound with branched aliphatic-guest molecule. The nitrobenzeneguest molecule attains the stable position in the nodal channel of T-type by placing the polar nitro group between the pn-amino groups at the node and the bulky aromatic ring in the antinodal zone of the channel. The substituted aromatic guest molecule is accommodated in the host structure of metal complex Cd(pn)Ni(CN)4 with channel cavity.
Page
 509 - 514
Full Text
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