The crystal and molecular structure of mercury(II) bis(isopropyl)dithiophosphate, Hg[S_2P(OPr~i)_2]_2, revisited: new comments about its supramolecular self-organization

Jose S. Casas; Eduardo E. Castellano; Javier Ellena; Ionel Haiduc; Agustin Sanchez; Jose Sordo

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The crystal and molecular structure of mercury(II) bis(isopropyl)dithiophosphate, Hg[S_2P(OPr~i)_2]_2, revisited: new comments about its supramolecular self-organization

机译：汞（II）双（异丙基）二硫代磷酸酯Hg [S_2P（OPr〜i）_2] _2的晶体和分子结构：关于其超分子自组织的新评论

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The crystal structure of the title compound, Hg[S_2P(OPr~i)_2]_2, has been determined by single-crsytal X-ray diffraction. The compound crystallizes in the centrosymmetric P2_1/c space group with a = 11.800(1), b = 8.925(2), c = 22.167(2) A, #beta# = 94.988(7) deg, and Z = 4. The same compound has been previously reported but the structure is described there in the space group C2/c. In both cases, one phosphorodithioate moiety acts as a chelating group and the other as a bridging group between neighboring mercury atoms (related to one another by the twofold screw axis), giving rise to an infinite polymer along the direction of the b axis. It turns out that in spite of the difference in space group symmetry, the structures are remarkable similar in that they are formed from infinite polymers of similar geometry. The coordination around the Hg ion shows, however, significant differences, mainly for the bridging Hg-S(4) bond length, which is 0.16 A smaller than that previously reported.

机译：标题化合物Hg [S_2P（OPr〜i）_2] _2的晶体结构已通过单晶体X射线衍射测定。该化合物在中心对称的P2_1 / c空间组中结晶，其中a = 11.800（1），b = 8.925（2），c = 22.167（2）A，＃beta＃= 94.988（7）度，Z = 4。先前已经报道了相同的化合物，但是在空间组C2 / c中描述了其结构。在这两种情况下，一个二硫代磷酸酯部分都用作相邻汞原子之间的螯合基团（通过双向螺旋轴彼此关联），从而沿b轴方向生成了无限大的聚合物。事实证明，尽管空间组对称性不同，但这些结构却是非常相似的，因为它们是由具有相似几何形状的无限聚合物形成的。但是，围绕Hg离子的配位显示出显着差异，主要是桥接Hg-S（4）键长比以前报道的小0.16A。

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《Journal of chemical crystallography》 |1999年第7期|共6页
作者
Jose S. Casas; Eduardo E. Castellano; Javier Ellena; Ionel Haiduc; Agustin Sanchez; Jose Sordo;
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正文语种 eng
中图分类晶体学;
关键词
Hg coordination; crystal structure; organomercury derivatives;

机译：汞配位;晶体结构;有机汞衍生物;

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The crystal and molecular structure of mercury(II) bis(isopropyl)dithiophosphate, Hg[S_2P(OPr~i)_2]_2, revisited: new comments about its supramolecular self-organization

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