FSO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FE5 | S5 | sing | 2.33Å | 2.20Å | |
| FE5 | S6 | sing | 2.33Å | 2.20Å | |
| FE5 | O10 | sing | 1.90Å | 2.08Å | |
| FE6 | S5 | sing | 2.33Å | 2.20Å | |
| FE6 | S6 | sing | 2.30Å | 2.26Å | |
| FE6 | O8 | sing | 1.83Å | 1.98Å | |
| FE7 | O9 | sing | 1.99Å | 2.10Å | |
| FE7 | O10 | sing | 1.99Å | 1.71Å | |
| FE8 | S6 | sing | 2.36Å | 2.58Å | |
| FE8 | S7 | sing | 2.30Å | 2.48Å | |
| FE8 | O8 | sing | 2.10Å | 2.17Å | |
| FE8 | O9 | sing | 1.99Å | 2.04Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S5 | FE5 | S6 | 103.3° | 109.1° |
| S5 | FE5 | O10 | 106.9° | 109.5° |
| FE5 | S5 | FE6 | 76.0° | 70.1° |
| S6 | FE5 | O10 | 105.9° | 109.5° |
| FE5 | S6 | FE6 | 74.7° | 70.6° |
| FE5 | S6 | FE8 | 82.7° | 94.0° |
| FE5 | O10 | FE7 | 163.2° | 135.8° |
| S5 | FE6 | S6 | 101.3° | 109.8° |
| S5 | FE6 | O8 | 106.7° | 109.5° |
| S6 | FE6 | O8 | 100.4° | 104.2° |
| FE6 | S6 | FE8 | 77.9° | 71.8° |
| FE6 | O8 | FE8 | 94.6° | 87.8° |
| O9 | FE7 | O10 | 86.6° | 90.0° |
| FE7 | O9 | FE8 | 106.4° | 138.0° |
| S6 | FE8 | S7 | 89.8° | 87.8° |
| S6 | FE8 | O8 | 86.2° | 94.2° |
| S6 | FE8 | O9 | 150.2° | 120.0° |
| S7 | FE8 | O8 | 164.0° | 177.9° |
| S7 | FE8 | O9 | 101.7° | 89.7° |
| O8 | FE8 | O9 | 89.2° | 89.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S5 | FE5 | S6 | O10 | 112.2° | 119.8° |
| S5 | FE5 | S6 | FE6 | 16.6° | 5.2° |
| FE5 | S5 | FE6 | O8 | 88.2° | 108.7° |
| S5 | FE5 | O10 | FE7 | 9.8° | 40.6° |
| S5 | FE5 | S6 | FE8 | 96.0° | 74.3° |
| FE5 | S6 | FE6 | FE8 | 85.6° | 101.2° |
| FE5 | S6 | FE6 | O8 | 93.0° | 112.0° |
| S6 | FE5 | O10 | FE7 | 119.4° | 78.9° |
| FE5 | S6 | FE8 | S7 | 113.1° | 103.1° |
| FE5 | S6 | FE8 | O8 | 82.5° | 77.2° |
| FE5 | S6 | FE8 | O9 | 0.6° | 14.8° |
| O10 | FE5 | S5 | FE6 | 94.5° | 114.7° |
| O10 | FE5 | S6 | FE6 | 95.6° | 114.6° |
| FE5 | O10 | FE7 | O9 | 97.9° | 41.4° |
| O10 | FE5 | S6 | FE8 | 16.2° | 45.5° |
| S5 | FE6 | S6 | O8 | 109.5° | 117.2° |
| S5 | FE6 | S6 | FE8 | 102.1° | 106.3° |
| S5 | FE6 | O8 | FE8 | 96.6° | 105.9° |
| FE6 | S6 | FE8 | S7 | 171.1° | 171.2° |
| S6 | FE6 | O8 | FE8 | 8.6° | 11.6° |
| FE6 | S6 | FE8 | O9 | 75.2° | 82.8° |
| FE6 | O8 | FE8 | S7 | 83.4° | 179.0° |
| FE6 | O8 | FE8 | O9 | 143.0° | 109.1° |
| FE7 | O9 | FE8 | S6 | 17.3° | 18.8° |
| FE7 | O9 | FE8 | S7 | 93.4° | 68.5° |
| FE7 | O9 | FE8 | O8 | 98.4° | 113.4° |
| O10 | FE7 | O9 | FE8 | 4.5° | 13.4° |
| S6 | FE8 | S7 | O8 | 75.5° | 170.1° |
| S6 | FE8 | S7 | O9 | 152.3° | 120.0° |
| S6 | FE8 | O8 | O9 | 150.5° | 120.1° |
| S7 | FE8 | O8 | O9 | 133.6° | 69.9° |
