Table 2: Distances and bond/torsion angles, involving the central nine-coordinated Gd (III) atom.

Atoms Bond
Length (Ǻ )
Atoms Bond
Angles (º)
Atoms Torsion
Angles (º)
Gd-O13 2.359 O38-Gd-
O39
81.4 N4-C-C-
N3
-54.82
Gd-O7 2.373 N2-Gd-
N3
71.55 N3C-C-
N2
55.12
Gd-O17 2.393 N2-Gd-
N4
141.66 N3-C-C-
O13
27.14
Gd-O38 2.472 N3-Gd-
N4
70.32 N2-C-C-
O17
-23.59
Gd-O39 2.513 O7-Gd-
O13
84.04 N1-C-C-
O3
-33.83
Gd-
O(W)73
2.451 O13-Gd-
O17
136.22
Gd-N1 2.550 O17-Gd-
O7
133.33
Gd-N2 2.512 N2-Gd-
O7
70.34
Gd-N3 2.532 N2-Gd-
O13
139.92
C-O13 1.297 N2-Gd-
O17
63.27
C-O7 1.287 N3-Gd-
O7
64.38
C-O17 1.316 N3-Gd-
O13
124.48
Ph-O38 1.429 N3-Gd-
O17
96.96
C-O38 1.478 N4-Gd-
O7
89.62
Ph-O39 1.432 N4-Gd-
O13
64.78
C-O39 1.476 N4-Gd-
O17
124.76
C-C-O7 111.24
C-C-O13 110.49
C-C-O17 109.78

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