mer-trans-W(CO)3(PR3)22-H2)

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To simplify:

The structure shown is a compilation of a X-ray crystal
structure determination and a neutron diffraction study.
A difference map of the two superimposed data sets allowed
the authors to locate the positions of the hydrogens in the H2 ligand.

CCDC structure: CEJDEA
Kubas, G.J., Ryan, R.R., Swanson, B.I., Vergamini, P.J., Wasserman, H.J.;
J. Am. Chem. Soc., 106 1984, p. 451-452

Computational Energy Minimization for
mer-trans-W(CO)3(PR3)22-H2)

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To simplify:

The optimization results in the structure where the
H-H bond is parallel to the P-W-P bond axis
suggested as likely by the authors on P 452