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聚[[六水合-(μ(2)-草酸根-κO,O:O,O)双-(μ(3)-吡啶-2,4-二羧酸根-κN,O:O:O)二镧(III)]]一水合物。

Poly[[hexa-aqua-(μ(2)-oxalato-κO,O:O,O)bis-(μ(3)-pyridine-2,4-dicarboxyl-ato-κN,O:O:O)dilanthanum(III)] monohydrate].

作者信息

Shen Fwu Ming, Lush Shie Fu

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):m1731-2. doi: 10.1107/S160053681104668X. Epub 2011 Nov 9.

DOI:10.1107/S160053681104668X
PMID:22199534
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3238643/
Abstract

In the polymeric title compound, {[La(2)(C(7)H(3)NO(4))(2)(C(2)O(4))(H(2)O)(6)]·H(2)O}(n), the La(3+) cation is nine-coordinated in a distorted LaNO(8) tricapped trigonal-prismatic geometry formed by three pyridinedicarboxylate anions, one oxalate anion and three water mol-ecules. The oxalate anion is located on an inversion center. The oxalate and pyridine-dicarboxyl-ate anions bridge the La(3+) cations, forming a two-dimensional polymeric complex parallel to (010). Inter-molecular O-H⋯O hydrogen bonding and weak C-H⋯O hydrogen bonding is present in the crystal structure and π-π stacking [centroid-centroid distance = 3.571 (3) Å] is observed between parallel pyridine rings of adjacent mol-ecules. The uncoordinated water molecule shows an occupancy of 0.5.

摘要

在聚合标题化合物{[La₂(C₇H₃NO₄)₂(C₂O₄)(H₂O)₆]·H₂O}ₙ中，La³⁺阳离子由三个吡啶二羧酸根阴离子、一个草酸根阴离子和三个水分子形成扭曲的LaNO₈三帽三棱柱几何构型，呈九配位。草酸根阴离子位于对称中心。草酸根和吡啶二羧酸根阴离子桥连La³⁺阳离子，形成平行于(010)的二维聚合物配合物。晶体结构中存在分子间O—H⋯O氢键和弱C—H⋯O氢键，并且在相邻分子的平行吡啶环之间观察到π - π堆积[质心 - 质心距离 = 3.571(3) Å]。未配位的水分子占有率为0.5。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/39c4/3238643/6644d76e30d1/e-67-m1731-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/39c4/3238643/6471e4c917d1/e-67-m1731-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/39c4/3238643/43b4b0be134e/e-67-m1731-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/39c4/3238643/6644d76e30d1/e-67-m1731-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/39c4/3238643/6471e4c917d1/e-67-m1731-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/39c4/3238643/43b4b0be134e/e-67-m1731-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/39c4/3238643/6644d76e30d1/e-67-m1731-fig3.jpg

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