FES
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
FE1 | S1 | sing | 2.20Å | 2.28Å | |
FE1 | S2 | sing | 2.20Å | 2.23Å | |
FE2 | S1 | sing | 2.20Å | 2.22Å | |
FE2 | S2 | sing | 2.20Å | 2.20Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
S1 | FE1 | S2 | 102.2° | 83.4° |
FE1 | S1 | FE2 | 75.2° | 88.4° |
FE1 | S2 | FE2 | 76.6° | 88.4° |
S1 | FE2 | S2 | 105.5° | 83.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
S1 | FE1 | S2 | FE2 | 5.6° | 29.9° |