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zou-yanhua

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sltmac(½ð±Ò+3): ¸ÐлӦÖú~ 2011-08-10 14:11:46
yinguojie(½ð±Ò+80, ·­ÒëEPI+1): ÐÁ¿àÁË~лл£¡ 2011-08-11 16:28:16
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 ¡ãwith the benzene ring (C1, C3, C4, C2, C5, C6) and  9.2 ¡ãwith 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 ¦Ð-¦Ð interactions exist.
2Â¥2011-08-10 12:55:42
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dxmboy88

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sltmac(½ð±Ò+3): ¸ÐлӦÖú£¬»¶Ó­³£À´±¾°æ~ 2011-08-10 14:12:06
yinguojie(½ð±Ò+80): ÐÁ¿àÁË Ð»Ð» 2011-08-11 16:28:26
Crystal structure belongs to the monoclinic system, C2 / c space group. It possesses the distorted octahedron geometry structure at the center of M atomic. The A and M ligands in coordination with C, N, O atoms were respectively taken cis-form, anti-form, cisoid conformation, which is consistent with the reported conformation of similar complexes. From the graph, we can see that the M (III) and the carbon atom of benzene ring formed a carbon-metallic bond, but not the carbon atom of naphthalene ring. And the average deviation of the five-membered ring (M1, C1 C6, C7,, N1) plane from the coordination is 0.0608 & Aring.
The dihedral angle between the above plane and benzene ring (C1, C3, C4, C2, C5, C6)is 6.5 ¡ã, and the dihedral angle between the above plane and Oxazole heterocyclic ring (N1, O1, 7-17) is 9.2 ¡ã.It indicates from the table that the average bond length of M-C is 1.997Å, the average bond length of M-N is 2.079Å, and the average bond length of M-O is 2.141Å.This is resulting from the electronegativity decreasing gradually and the covalent component of the bond atoms increasing from the O to C atom. It can be perceived from the space accumulation figure of the complexes that the naphthalene ring between two molecules is parallel and overlap, the distance between the two planes is 3.450 & Aring, with the obvious ¦Ð-¦Ð interaction.
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3Â¥2011-08-10 13:29:38
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