Table 4.
Compound | RMSD a | ||
---|---|---|---|
Bond length [nm] | Bond angle [º] | Dihedral angle [°] | |
BH4 | 0.0013
0.0012 |
0.89
1.57 |
20.6
15.0 |
O2-Fe-PP-SMe b | 0.0010
0.0010 |
0.98
0.98 |
2.15
2.15 |
[Zn(MeS)4] 2- c | 0.0036
0.0036 |
4.62
4.62 |
23.20
23.20 |
First row: RMSD for parameterized bond lengths, bond angles and dihedral angles; second row: total RMSD.
Dioxy-iron porphyrin methylthiolate complex.
Tetramethylthiolate Zn complex.