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. Author manuscript; available in PMC: 2014 Dec 11.
Published in final edited form as: J Am Chem Soc. 2013 Dec 3;135(49):18549–18559. doi: 10.1021/ja408827d

TABLE 2.

Selected bond distances (Å) and angles (deg) for the two cationic units in the crystal structure of [Cu(I)-(trMCL-3)]PF6 •EtOH (16).

16 (I) 16 (II)
Cu(1)-S(1) 2.2558(2) 2.2729(3)
S(2)-Cu(1) 2.2577(2) 2.2576(2)
S(3)-Cu(1) 2.3024(2) 2.3339(2)
S(4)-Cu(1) 2.3108(2) 2.3088(3)
S(1)-Cu(1)-S(3) 118.896(9) 116.703(10)
S(1)-Cu(1)-S(4) 110.019(9) 104.482(9)
S(1)-Cu(1)-S(2) 106.648(9) 106.517(9)
S(2)-Cu(1)-S(3) 106.772(9) 109.358(9)
S(2)-Cu(1)-S(4) 117.871(9) 123.669(10)
S(3)-Cu(1)-S(4) 97.026(8) 96.580(9)
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