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Synthesis, characterization, and crystal structures of novel single and mixed-metal framework materials assembled from 2-(4-pyridyl)thiazole-4-carboxylic acid with cobalt, cadmium, and vanadium oxide

机译:由2-(4-吡啶基)噻唑-4-羧酸与钴,镉和钒氧化物组装而成的新型单金属和混合金属骨架材料的合成,表征和晶体结构

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摘要

Three new coordination polymers containing 2-(4-pyridyl)thiazole-4-carboxylate (pytac) with cobalt, vanadium oxide, or cadmium iodide have been synthesized solvothermally, isolated, and characterized by single-crystal X-ray diffraction and powder X-ray diffraction. [Co_3(pytac)_6] (H_2O)_8 (1), which crystallizes in the space group C2/c (a = 24.1418(8) A,b = 17.5088(6) A, and c = 14.4562(5) A, beta = 96.0390(10) deg), has 1D hex-americ water channels that constitute a 14.4 percent of the unit cell volume. Co_3(pytac)_2(H_2O)_4V_4O_(12) (2), which crystallizes in the space group P1-bar (a = 8.6591(5) A, b = 9.0044(5) A, and c = 10.6495(6) A, alpha = 67.1160(10) deg, beta = 82.6880(10) deg, and gamma = 83.9880(10) deg), is an extension of the former in that it contains Co(H_2O)_4V_4O_(12) in addition to the Co-only 2D layers. [CdI(pytac)(H_2O)] centre dot H_2O (3), which also crystallizes in the space group P1-bar (a = 8.2376(4) A, b = 8.4859(4) A, and c = 11.1261(5) A, alpha = 68.2020(10) deg, beta = 77.5610(10) deg, and gamma = 69.1230(10) deg), exhibits structural characteristics similar to 2, in that both contain 1D chains where the pytac ligand simultaneously engages in three different coordination modes: chelating, single bond coordination, and mu-2 bridging between two metal centers via carboxylate oxygen atoms.
机译:溶剂热合成,分离并通过单晶X射线衍射和粉末X-射线表征了三种新的含2-(4-吡啶基)噻唑-4-羧酸酯(pytac)与钴,钒氧化物或碘化镉的配位聚合物。射线衍射。 [Co_3(pytac)_6](H_2O)_8(1)在空间组C2 / c中结晶(a = 24.1418(8)A,b = 17.5088(6)A,c = 14.4562(5)A, β= 96.0390(10)度),具有一维六边形水通道,占单位细胞体积的14.4%。 Co_3(pytac)_2(H_2O)_4V_4O_(12)(2)在空间组P1-bar中结晶(a = 8.6591(5)A,b = 9.0044(5)A,c = 10.6495(6)A (α= 67.1160(10)度,β= 82.6880(10)度和gamma = 83.9880(10)度)是前者的扩展,因为除Co之外还包含Co(H_2O)_4V_4O_(12) -仅2D图层。 [CdI(pytac)(H_2O)]中心点H_2O(3),它也在空间组P1-bar中结晶(a = 8.2376(4)A,b = 8.4859(4)A,c = 11.1261(5) A,α= 68.2020(10)度,β= 77.5610(10)度,γ= 69.1230(10)度),其结构特征类似于2,两者都包含一维链,其中pytac配体同时参与了三种不同的配位模式:螯合,单键配位,以及通过羧酸氧原子在两个金属中心之间的mu-2桥接。

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