Crystal structure determination of (triethyleneglycol)bis(3,5-dinitrobenzoate) strontium(II) monohydrate

Hundal G; Hundal MS; Singh N

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Crystal structure determination of (triethyleneglycol)bis(3,5-dinitrobenzoate) strontium(II) monohydrate

机译：一水合（三乙二醇）双（3,5-二硝基苯甲酸酯）锶（II）的晶体结构测定

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The complex {[Sr(C7H3N2O6) (2)(C6H14O4)] . H2O}(2) is a centrosymmetric dimer. Each Sr2+ in the cluster is nine coordinated by four oxygens of triethyleneglycol and the carboxylate oxygens of 3,5-dinitrobenzoate (DNB) anions. One of the DNBs behaves as a symmetrical bidentate chelating ligand whereas the other acts as a highly unsymmetrical, tridentate, chelating-cum-bridging ligand. The crystal is triclinic with a space group P1. The unit cell dimensions are a = 14.955(2), b = 12.730( 2), c = 7.389( 2) Angstrom, alpha = 73.06( 1) degrees, beta = 99.56( 1)degrees, gamma = 80.02( 2) degrees, V = 1289.84 Angstrom(3), lambda = 0.71070 Angstrom, Z = 2. The centrosymmetrically related Sr2+ is separated by a short distance of 4.565( 1) Angstrom, which results in a closely packed cluster of monomers. Both the alcoholic oxygens are H-bond donors toward the carboxylate oxygens of one of the DNB anion. The water molecule occupies intermolecular spaces.

机译：复合物{[Sr（C7H3N2O6）（2）（C6H14O4）]。 H 2 O}（2）是一个中心对称的二聚体。簇中的每个Sr2 +由九个氧的三甘醇氧和3,5-二硝基苯甲酸酯（DNB）阴离子的羧酸盐氧配位。 DNB之一表现为对称的双齿螯合配体，而另一分子表现为高度不对称的三齿螯合暨桥联配体。晶体是三斜晶的，具有一个空间群P1。晶胞尺寸为a = 14.955（2），b = 12.730（2），c = 7.389（2）埃，alpha = 73.06（1）度，beta = 99.56（1）度，γ= 80.02（2）度，V = 1289.84埃（3），λ= 0.71070埃，Z =2。与中心对称相关的Sr2 +被4.565（1）埃的短距离隔开，这导致紧密堆积的单体簇。两种醇氧都是朝向DNB阴离子之一的羧酸氧的H键供体。水分子占据分子间空间。

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《Journal of chemical crystallography》 |2004年第7期|共5页
作者
Hundal G; Hundal MS; Singh N;
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正文语种 eng
中图分类晶体学;
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crystal structure; bridging DNB anion; dimeric water molecules; POLYETHYLENE-GLYCOL; EARTH-METAL; ALKALI; NITROBENZENE; EXTRACTION; COMPLEXES; CATIONS;

机译：晶体结构;桥连DNB阴离子;二聚水分子;聚乙烯基乙二醇;土金属;碱;硝基苯;提取;络合物;阳离子;

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Crystal structure determination of (triethyleneglycol)bis(3,5-dinitrobenzoate) strontium(II) monohydrate

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