FSO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FE5 | S5 | sing | 2.17Å | 2.20Å | |
| FE5 | S6 | sing | 2.21Å | 2.20Å | |
| FE5 | O10 | sing | 1.77Å | 2.08Å | |
| FE6 | S5 | sing | 2.22Å | 2.20Å | |
| FE6 | S6 | sing | 2.23Å | 2.26Å | |
| FE6 | O8 | sing | 1.83Å | 1.98Å | |
| FE7 | O9 | sing | 1.75Å | 2.10Å | |
| FE7 | O10 | sing | 1.83Å | 1.71Å | |
| FE8 | S6 | sing | 2.21Å | 2.58Å | |
| FE8 | S7 | sing | 2.19Å | 2.48Å | |
| FE8 | O8 | sing | 1.82Å | 2.17Å | |
| FE8 | O9 | sing | 1.75Å | 2.04Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S5 | FE5 | S6 | 103.3° | 82.3° |
| S5 | FE5 | O10 | 106.9° | 151.1° |
| FE5 | S5 | FE6 | 76.0° | 75.8° |
| S6 | FE5 | O10 | 105.9° | 125.9° |
| FE5 | S6 | FE6 | 74.7° | 74.7° |
| FE5 | S6 | FE8 | 82.7° | 99.5° |
| FE5 | O10 | FE7 | 163.2° | 102.1° |
| S5 | FE6 | S6 | 101.3° | 80.8° |
| S5 | FE6 | O8 | 106.7° | 158.5° |
| S6 | FE6 | O8 | 100.4° | 78.3° |
| FE6 | S6 | FE8 | 77.9° | 82.1° |
| FE6 | O8 | FE8 | 94.6° | 106.0° |
| O9 | FE7 | O10 | 86.6° | 116.7° |
| FE7 | O9 | FE8 | 106.4° | 131.0° |
| S6 | FE8 | S7 | 89.8° | 113.3° |
| S6 | FE8 | O8 | 86.2° | 79.0° |
| S6 | FE8 | O9 | 150.2° | 110.9° |
| S7 | FE8 | O8 | 164.0° | 113.3° |
| S7 | FE8 | O9 | 101.7° | 113.0° |
| O8 | FE8 | O9 | 89.2° | 122.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S5 | FE5 | S6 | O10 | 112.2° | 173.0° |
| S5 | FE5 | S6 | FE6 | 16.6° | 48.6° |
| FE5 | S5 | FE6 | O8 | 88.2° | 34.5° |
| S5 | FE5 | O10 | FE7 | 9.8° | 106.4° |
| S5 | FE5 | S6 | FE8 | 96.0° | 127.7° |
| FE5 | S6 | FE6 | FE8 | 85.6° | 102.2° |
| FE5 | S6 | FE6 | O8 | 93.0° | 127.3° |
| S6 | FE5 | O10 | FE7 | 119.4° | 59.2° |
| FE5 | S6 | FE8 | S7 | 113.1° | 151.0° |
| FE5 | S6 | FE8 | O8 | 82.5° | 98.1° |
| FE5 | S6 | FE8 | O9 | 0.6° | 22.8° |
| O10 | FE5 | S5 | FE6 | 94.5° | 119.6° |
| O10 | FE5 | S6 | FE6 | 95.6° | 124.4° |
| FE5 | O10 | FE7 | O9 | 97.9° | 53.0° |
| O10 | FE5 | S6 | FE8 | 16.2° | 45.4° |
| S5 | FE6 | S6 | O8 | 109.5° | 174.8° |
| S5 | FE6 | S6 | FE8 | 102.1° | 149.7° |
| S5 | FE6 | O8 | FE8 | 96.6° | 18.0° |
| FE6 | S6 | FE8 | S7 | 171.1° | 136.0° |
| S6 | FE6 | O8 | FE8 | 8.6° | 32.1° |
| FE6 | S6 | FE8 | O9 | 75.2° | 95.7° |
| FE6 | O8 | FE8 | S7 | 83.4° | 143.1° |
| FE6 | O8 | FE8 | O9 | 143.0° | 75.7° |
| FE7 | O9 | FE8 | S6 | 17.3° | 32.6° |
| FE7 | O9 | FE8 | S7 | 93.4° | 161.1° |
| FE7 | O9 | FE8 | O8 | 98.4° | 57.6° |
| O10 | FE7 | O9 | FE8 | 4.5° | 49.9° |
| S6 | FE8 | S7 | O8 | 75.5° | 87.7° |
| S6 | FE8 | S7 | O9 | 152.3° | 127.2° |
| S6 | FE8 | O8 | O9 | 150.5° | 107.9° |
| S7 | FE8 | O8 | O9 | 133.6° | 141.2° |
