6,6′-((Ethane-1,2-diylbis(azanediyl))bis(methylene))bis(2,4-bis(2-phenylpropan-2-yl)phenolate)zirconium(IV) Dichlorido

Round 1

Reviewer 1 Report

The work of Hipólito et al describe novel salan zirconium complex. The article is well written, all synthetic and characterization details are clear. However, I could not agree with following statement in the refinement description: “Compound 2 crystallized with disordered molecules of solvent in the asymmetric unit and thus the Squeeze/PLATON sequence [35] was applied as all attempts to model the disorder did not lead to acceptable solutions.” (lines 117-118).

I tried myself to refine the solvent and I clearly see major component of disordered Et2O, second component is also visible. I attached the res file to the review, probably authors will need to tweak a bit restraints for Et20 molecule + add few more OMITs, but even at that stage refinement indicator are comparable with squeezed version.

Minor comments/typos:

Update SHELXL to the latest version

“single crystal” should be “single-crystal” when it is used as adjective. Lines 12, 38, 41, 129.

Line 45 ”R_sigma = 0.0458” – copy/paste error, because R_sigma in the cif is 0.0780.

Line 86 “yellow” check consistency, colourless in the cif.

Line 113 “SHELX” should be SHELX20XX/Y (put exact version).

Add _chemical_name_systematic      and _chemical_name_common   items in the cif.

_atom_sites_solution_primary    and _atom_sites_solution_secondary

Comments for author File: Comments.zip

Author Response

Please see the attachment.

Author Response File: Author Response.pdf

Round 2

Reviewer 1 Report

Suggested corrections were applied, could be published in current form.