Poly[[tetraaqua(μ3-4-hydroxypyridine-2,6-dicarboxylato)di-μ2-oxalato-dipraseodymium(III)] 4.29-hydrate]

IUCrData Pub Date : 2025-05-01 DOI:10.1107/S2414314625004560

Aaqib Khurshid , Apinpus Rujiwatra , Thammanoon Chuasaard

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Abstract

The title compound [Pr^III₂(HCAM)(ox)₂(H₂O)₄]·4.29H₂O features a two-dimensional coordination polymeric framework of Pr^III with partially deprotonated chelidamic acid (HCAM²⁻) and oxalate (ox²⁻) linkers. The two-dimensional sheets further assemble through hydrogen bonding and π–π interactions into three-dimensional supramolecular architecture.

The coordination polymer of crystal formula [Pr^III₂(C₇H₂NO₅)(C₂O₄)₂(H₂O)₄]·4.29H₂O or [Pr^III₂(HCAM)(ox)₂(H₂O)₄]·4.29H₂O was synthesized from praseodymium(III) nitrate in water using chelidamic acid (H₃CAM) and oxalic acid (H₂ox). There are two Pr^III atoms in the asymmetric unit. One metal ion has nine-fold coordination from one pyridyl nitrogen and eight oxygen atoms from one HCAM²⁻, two ox²⁻, and two coordinating water molecules leading to the formation of a tricapped trigonal {Pr^IIINO₈} prism. The other metal ion is coordinated by ten oxygen atoms from two HCAM²⁻, two ox²⁻, and two coordinating water molecules, forming a bicapped square {Pr^IIIO₁₀} unit. The HCAM²⁻ linker has a μ₂-κ²:κ¹ chelating coordination mode via its carboxylates and N-pyridyl donors, linking the {Pr^IIINO₈} and {Pr^IIIO₁₀} units into infinite chains. The μ₂-κ¹:κ¹:κ¹:κ¹ bridging carboxylates of the ox²⁻ linkers connect adjacent chains into sheets in the ac plane. Adjacent layers further aggregate through intermolecular hydrogen bonding, most of which involves the water molecules of crystallization, and π–π interactions to form a tri-periodic supramolecular framework. Some of the co-crystallizing water molecules as well as one of the metal-coordinating water molecules are disordered.

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聚[[tetra-aqua(μ3-4-hy-droxy-pyridine-2, 6-di-carboxyl-ato) di -μ2-oxalato-dipraseodymium (III)] 4.29水合物]。

以螯合酸（H3CAM）和草酸（H2ox）为原料，在水中合成了晶式为[PrIII 2(C7H2NO5)(C2O4)2(H2O)4]·4.29H2O或[PrIII 2(HCAM)(ox)2(H2O)4]·4.29H2O的配位聚合物。不对称单元中有两个PrIII原子。一个金属离子与一个吡啶基氮有9倍配位，与一个HCAM2-、两个ox2-和两个配位的水分子有8个氧原子配位，从而形成一个三角三角{PrIIINO8}棱镜。另一个金属离子由来自两个HCAM2-、两个ox2-和两个配位水分子的十个氧原子配位，形成一个双截方形{PrIIIO10}单元。HCAM2-连接体通过羧酸盐和n -吡啶基给体形成μ2-κ2:κ1螯合配位模式，将{PrIIINO8}和{PrIIIO10}连接成无限链。ox2-连接体的μ2-κ1:κ1:κ1:κ1桥接羧酸盐在ac平面上将相邻链连接成薄片。相邻层通过分子间氢键进一步聚集，其中大部分涉及水分子的结晶和π-π相互作用，形成三周期超分子框架。一些共结晶水分子和一个金属配位水分子是无序的。

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