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wy_why007

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There is a very strong O-H-O hydrogen bond in the structure - with the O...O distance about 2.42 \%A. The hydrogens are situated about the centre between these oxygens. However, the authors missed this fact because they inaptly constrained  the hydrogen. The discussion is erroneous becuase the author misinterprete the shorter pertinent P-O distances.

Moreover, the applied theta limit is too low for such a structure.

Please remeasure the structure to higher theta angles.
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huahua1216

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