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 |
|