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【答案】应助回帖
★ ★ ★
sltmac(金币+3): 感谢应助~ 2011-08-10 14:11:46
yinguojie(金币+80, 翻译EPI+1): 辛苦了~谢谢！ 2011-08-11 16:28:16
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The coordination polymer crystallizes in the monoclinic system with space group of C2/c. The metal center is six coordinated with a slightly distorted octahedral geometry.The coordination conformation of the C, N and O atoms of the ligands adopt the cis ,trans and cis respectively,which is consistent with the similar reported complexes. It can be illustrated from the figure that the carbon-metal bond is formed between M (III) and the C atom on the benzene ring rather than the C atom on the naphthalene ring. Moreover, the average deviation of the five-membered ring formed with(M1, C1 C6, C7,, N1) is 0.0608 & Aring and the dihedral angle is 6.5 °with the benzene ring (C1, C3, C4, C2, C5, C6) and 9.2 °with the oxazole heterocyclic(N1, O1, C7-17). It shows from the table that the average bond distance of M-C is 1.997& Aring, the average bond distance of M-N is 2.079& Aring, and the average bong distance of M-O is 2.141 & Aring.The increase of the bond distance from M-C to M-N and M-O is caused by the increase of the covalent component between the coordination atoms from C to N and O of which the electronegativity decreases gradually. From the space accumulate figure, it can be seen that the naphthalene rings of two molecules are parallel and overlap with the distance of 3.450Å,and the obvious π-π interactions exist. |
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