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1. Crystallographic reporting - use of restraints during refinement should be explained in the supplementary info
2. Complex 1 - refinement has not converged as evidenced by the shift/esd of 0.52. You need to present a converged refinement. It might be better to refine the DMF as isotropic
3. Complex 6 - C05 has a Uiso of 0.46 - this is too large, perhaps refine that solvent molecule at lower occupancy or using a group adp refinement
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  • 2013-05-12 00:34:00, 502.51 K
  • ¸½¼þ 2 : Complex6-wk-102.zip
  • 2013-05-12 00:34:53, 4.33 M

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