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33749022451
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note
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The PM3-calculated structure of the monoanion of 16 is in reasonable agreement with the corresponding X-ray structure (Figure 2). The O-O distances in the three hydrogen bonds are 2.670 (2.477), 2.673 (2.542) and 2.709 (2.548) Å (X-ray parameters in parentheses).
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33749035226
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note
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The considerable deviations of the elemental analysis for C, H and O of 16 are due to a general problem arising in the analysis of compounds with high content of oxygen in the presence of metals.
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63
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