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高氯酸聚[[(μ(2)-乙酸根-κO,O':O')水-双-(μ(3)-异烟酸根-κO:O':N)钐(III)银(I)]]

Poly[[(μ(2)-acetato-κO,O':O')aqua-bis-(μ(3)-isonicotinato-κO:O':N)samarium(III)silver(I)] perchlorate].

作者信息

Zhu Li-Cai, Zhu Si-Ming

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Aug 1;67(Pt 8):m1054-5. doi: 10.1107/S1600536811026134. Epub 2011 Jul 9.

DOI:10.1107/S1600536811026134
PMID:22090841
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3212139/
Abstract

The title compound, {[AgSm(C(6)H(4)NO(2))(2)(CH(3)CO(2))(H(2)O)]ClO(4)}(n), is a three-dimensional heterobimetallic complex constructed from a repeating dimeric unit. Only half of the dimeric moiety is found in the asymmetric unit; the unit cell is completed by crystallographic inversion symmetry. The Sm(III) ion is eight-coordinated by four O atoms of four different isonicotinate ligands, three O atoms of two different acetate ligands, and one O atom of a water mol-ecule. The two-coordinate Ag(I) ion is bonded to two N atoms of two different isonicotinate anions, thereby connecting the disamarium units. In addition, the isonicotinate ligands also act as bridging ligands, generating a three-dimensional network. The coordinated water mol-ecules link the carboxyl-ate group and acetate ligands by O-H⋯O hydrogen bonding. Another O-H⋯O hydrogen bond is observed in the crystal structure. The perchlorate ion is disordered over two sites with site-occupancy factors of 0.560 (11) and 0.440 (11), whereas the methyl group of the acetate ligand is disordered over two sites with site-occupancy factors of 0.53 (5) and 0.47 (5).

摘要

标题化合物{[AgSm(C₆H₄NO₂)₂(CH₃CO₂)(H₂O)]ClO₄}ₙ是一种由重复二聚体单元构成的三维异双金属配合物。在不对称单元中仅发现二聚体部分的一半;晶胞通过晶体学反演对称性得以完整。Sm(III)离子由四个不同异烟酸酯配体的四个O原子、两个不同乙酸酯配体的三个O原子以及一个水分子的一个O原子八配位。两配位的Ag(I)离子与两个不同异烟酸根阴离子的两个N原子键合,从而连接双钐单元。此外,异烟酸酯配体还充当桥连配体,形成三维网络。配位水分子通过O—H⋯O氢键连接羧酸根基团和乙酸酯配体。在晶体结构中还观察到另一个O—H⋯O氢键。高氯酸根离子在两个位置无序,占位因子分别为0.560 (11)和0.440 (11),而乙酸酯配体的甲基在两个位置无序,占位因子分别为0.53 (5)和0.47 (5)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e996/3212139/7d6311008354/e-67-m1054-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e996/3212139/446686b143b2/e-67-m1054-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e996/3212139/7d6311008354/e-67-m1054-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e996/3212139/446686b143b2/e-67-m1054-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e996/3212139/7d6311008354/e-67-m1054-fig2.jpg

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本文引用的文献

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Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 19;65(Pt 9):m1105. doi: 10.1107/S1600536809032115.
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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.