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note
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2 converged with final R1 = 0.0691 and wR2 = 0.1069 for 4045 reflections with I > 2σ(I) and 442 variable parameters.
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2942642703
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Optimized coordinates are provided as Supporting Information.
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52
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2942673060
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note
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2 ligand and its coordination to the M(II) centers is largely unaffected by conversion of the axial ligand from thiolate to thioether. The only significant change is a slight contraction (<0.08 Å) of some of the M(II)-N bonds upon methylation.
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