主体分子六次甲基四胺与客体分子二氯化六水合钴(Ⅱ)和结晶水包结物的研究

用X射线单晶衍射分析法研究主体分子六次甲基四胺与客体分子二氯化六水合钴（Ⅱ）和结晶水包结物晶体结构。其分子式为［（CH2）6N4］2·［（Co（H2O）6］Cl2·4H2O，Mr＝59038。晶体属三斜晶系，空间群为P1。晶胞参数：3341个衍射点，其中3148个独立衍射点，2754（F0＞6σ（F0））为可观察反射点。在晶胞内，客体分子和结晶水形成氢键：，客体分子与主体分子形成氢键晶胞之间形成氢键晶胞之内和晶胞之间主体分子和客体分子以及结晶水以氢键和范德华力相联系形成稳定的晶格。

Crystal Structure of Crystalline Inclusion Compound Involving [(CH_2)_6N_4] Host and [Co(H_2O)_6]Cl_2 and H_2O Guest

The inclusion compound of hexamethylenetetramine and Co(H2O)6]Cl2 and water has bcenmade and its structure has been detcrmined by single crystal X-ray diffraction. Thc crystal is tri-clinic, space group P1, with the unit cell dimensionsThe structure model was refined to R= 0. 0250, wR =0. 0677.The host and guest molecu1e and water form H-bonds, O(1)-H...O(5), O(2)-H...O(4 ),O(1)-H...N(1), O(2)-H-N (3), O(3) -H-N(2) and O(4) -H..-N(4). The interactionsbetween host moleculcs and guest molecules are not only van der Waals' forces but also H-bondforces.