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note
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3, Z = 2. The molecule was located on a site of 6 symmetry. The hydride atom was disordered and was included with a partial site-occupancy-factor (1/6) to account for an equal distribution over two sites. At convergence, wR2 = 0.0321 and GOF = 1.174 for 54 parameters refined against 801 unique reflections (0.85 Å resolution). As a comparison for refinement against F, R1 = 0.0140 for those data, 774 data with I > 2.0σ(I).
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