Table 2. Key structural parameters of the 20 complexes. Distances are given in Å. Equatorial Fe-N distances are given as average values. For a complete set of structural parameters, see Supporting Information (Tables S1–S3). Table 2. Key structural parameters of the 20 complexes. Distances are given in Å. Equatorial Fe-N distances are given as average values. For a complete set of structural parameters, see Supporting Information (Tables S1–S3). Table 2. Key structural parameters of the 20 complexes. Distances are given in Å. Equatorial Fe-N distances are given as average values. For a complete set of structural parameters, see Supporting Information (Tables S1–S3). Table 2. Key structural parameters of the 20 complexes. Distances are given in Å. Equatorial Fe-N distances are given as average values. For a complete set of structural parameters, see Supporting Information (Tables S1–S3). Table 2. Key structural parameters of the 20 complexes. Distances are given in Å. Equatorial Fe-N distances are given as average values. For a complete set of structural parameters, see Supporting Information (Tables S1–S3). Table 2. Key structural parameters of the 20 complexes. Distances are given in Å. Equatorial Fe-N distances are given as average values. For a complete set of structural parameters, see Supporting Information (Tables S1–S3). Table 2. Key structural parameters of the 20 complexes. Distances are given in Å. Equatorial Fe-N distances are given as average values. For a complete set of structural parameters, see Supporting Information (Tables S1–S3).
Crystal Structure Crystal Structure Crystal Structure Optimized Structure Optimized Structure Optimized Structure
# d(Fe-Neq) d(Fe-Lax) d(Fe-Lax) d(Fe-Neq) d(Fe-Lax) d(Fe-Lax)
1 1.987 1.714 2.002 1.689
2 1.965 1.949
3 1.961 1.956
4 1.979 1.885 1.882 1.956 1.873 1.873
5 2.059 1.869 2.114 2.963
6 2.152 2.082 2.118 2.160 2.109 2.092
7 2.155 2.265 2.270 2.201 2.378 2.377
8 2.107 2.035 2.018 1.992
9 1.996 1.993
10 1.965 1.984
11 1.965 1.956
12 1.961 1.964
13 1.979 1.885 1.882 1.962 1.888 1.886
14 2.001 1.936 1.936 2.023 1.942 1.942
15 2.002 1.994 1.994 2.011 1.989 1.989
16 1.957 2.033 1.638 1.965 2.047 1.564
17 2.009 1.931 1.889 2.033 1.595 2.048
18 2.146 1.953 1.953 2.085 1.516 1.944
19 1.914 2.308 1.915 2.340
20 2.026 2.232 1.941 2.301