FS0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S5 | FE2 | sing | 2.19Å | 2.33Å | |
| FE2 | S1 | sing | 2.20Å | 2.27Å | |
| FE2 | S2 | sing | 2.20Å | 2.28Å | |
| S1 | FE1 | sing | 2.20Å | 2.28Å | |
| S2 | FE1 | sing | 2.20Å | 2.26Å | |
| S5 | H1 | sing | 1.35Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S5 | FE2 | S1 | 108.4° | 136.6° |
| S5 | FE2 | S2 | 106.4° | 136.7° |
| FE2 | S5 | H1 | 102.0° | 103.0° |
| S1 | FE2 | S2 | 104.9° | 86.7° |
| FE2 | S1 | FE1 | 74.3° | 86.7° |
| FE2 | S2 | FE1 | 74.3° | 86.7° |
| S1 | FE1 | S2 | 105.2° | 86.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S5 | FE2 | S1 | S2 | 113.4° | 180.0° |
| S5 | FE2 | S1 | FE1 | 104.3° | 153.0° |
| S5 | FE2 | S2 | FE1 | 105.6° | 153.0° |
| S1 | FE2 | S2 | FE1 | 9.2° | 27.0° |
| S1 | FE2 | S5 | H1 | 0.0° | 180.0° |
| S2 | FE2 | S5 | H1 | 112.4° | 0.0° |
