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. Author manuscript; available in PMC: 2011 Aug 22.
Published in final edited form as: J Am Chem Soc. 2007 Aug 18;129(36):11153–11160. doi: 10.1021/ja072750f

Table 3.

Dihedral angles along the edges of the coordination polyhedra [°] of the lanthanide complexes with TREN-1,2-HOIQO (1). Shape measure SMGd (deviation relative to the gadolinium complex).

Edge La Ce[a] Pr Nd Sm Eu Gd Tb Dy Ho Er Tm Yb Lu
O7-O8 55.07 55.68 56.25 56.68 57.31 57.75 57.94 58.37 58.77 58.70 58.85 59.35 59.72 60.10
O7-O5 41.41 41.56 41.77 42.10 42.00 42.24 42.42 42.09 42.36 42.54 42.75 42.31 43.00 41.60
O7-O6 49.04 48.85 49.16 49.02 49.25 49.54 49.40 49.45 49.51 49.18 49.02 49.47 48.91 50.19
O7-O10 56.74 57.09 57.40 57.55 57.88 57.89 57.86 57.90 58.21 58.17 58.30 58.38 59.55 57.81
O7-O9 47.45 46.36 45.77 45.51 44.62 43.87 43.60 43.44 42.49 42.23 42.41 42.03 40.98 41.47
O6-O10 61.63 61.31 61.04 60.82 60.79 60.78 61.22 60.70 60.74 60.98 60.80 60.54 60.87 61.31
O9-O10 68.17 69.12 68.39 68.26 68.38 68.31 68.07 67.95 68.35 68.79 68.42 68.37 69.03 68.33
O3-O9 30.36 29.78 30.81 31.32 31.28 31.93 32.46 32.32 32.54 32.67 33.06 33.07 31.99 33.02
O2-O9 40.79 41.52 40.91 41.39 41.47 40.91 41.13 42.01 42.00 42.25 42.33 42.69 43.26 43.33
O2-O8 63.81 63.67 63.64 63.10 63.33 63.25 63.29 62.81 62.97 62.61 62.80 62.40 62.70 62.62
O2-O5 62.25 62.23 62.55 62.98 63.87 64.15 64.18 63.98 64.33 64.58 64.75 64.47 65.26 64.65
O3-O5 13.68 13.98 13.05 13.10 12.47 12.02 11.46 11.93 11.56 11.64 11.57 12.06 11.18 11.71
O2-O3 86.69 87.41 87.47 87.83 88.45 88.63 88.64 89.19 89.63 89.89 89.75 89.33 89.71 89.14
O5-O6 80.45 80.35 80.54 80.37 80.85 81.14 81.17 81.17 81.44 81.28 81.53 81.25 81.25 81.69
O3 -O6 57.05 57.54 57.88 57.78 58.11 58.46 58.73 59.02 59.53 59.43 59.37 59.66 59.67 59.85
O10-O3 72.70 72.39 72.08 71.85 71.41 71.10 70.54 70.02 69.50 69.50 69.21 68.65 68.80 67.86
O9-O8 68.95 68.61 68.48 67.87 67.32 67.16 67.06 66.82 66.48 66.52 66.14 66.11 65.35 65.52
O8-O5 57.52 57.45 57.87 57.78 57.83 57.87 57.83 58.56 58.19 58.03 57.95 58.62 57.91 58.68

SMGd 2.01 1.78 1.44 1.24 0.89 0.70 0 0.65 0.69 0.72 0.74 0.94 1.27 1.26
[a]

Ref. 9.