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ÒÔÏÂÊÇÉó¸åÈËÒâ¼û£¬Çë¸ßÊÖ°ïæ×÷ͼ£¬ÏÈллÁË£¡ You need to move two independent solvent molecules into new positions, where they will show O7---H7C...O6 and O6---H6A...O3 hydrogen bonds WITHOUT any symmetry codes (i.e. ALL three moieties will be really positioned in one asymmetric part). To do it, you have to transform the atomic coordinates of all atoms for each solvent molecule using proper symmetry operation. After such re-positioning, prepare new Fig. 1 without H-atoms except only two - draw atoms H6A and H7C involved in hydrogen-bonding. Show H...O hydrogen-bonding by dashed lines. Draw displacement ellipsoids with 30% probability. Use the following Legend: "The content of asymmetric part of the tile compound showing the atomic numbering and 30% probabilty displacement ellipsoids. H atoms not inlvolved in hydrogen-bonding (dashed lines) omitted for clarity." |
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