F4S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | FE1 | sing | 2.28Å | 2.29Å | |
| S1 | FE2 | sing | 2.28Å | 2.28Å | |
| S1 | FE4 | sing | 2.28Å | 2.28Å | |
| FE1 | S2 | sing | 2.27Å | 2.27Å | |
| S2 | FE2 | sing | 2.27Å | 2.28Å | |
| S2 | FE3 | sing | 2.28Å | 2.29Å | |
| FE2 | S3 | sing | 2.28Å | 2.27Å | |
| S3 | FE3 | sing | 2.27Å | 2.29Å | |
| S3 | FE4 | sing | 2.27Å | 2.31Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FE1 | S1 | FE2 | 69.2° | 70.6° |
| FE1 | S1 | FE4 | 71.5° | 104.1° |
| S1 | FE1 | S2 | 106.0° | 109.2° |
| FE2 | S1 | FE4 | 77.2° | 70.6° |
| S1 | FE2 | S2 | 105.8° | 109.1° |
| S1 | FE2 | S3 | 103.1° | 109.0° |
| S1 | FE4 | S3 | 101.7° | 109.3° |
| FE1 | S2 | FE2 | 69.6° | 71.0° |
| FE1 | S2 | FE3 | 101.0° | 109.1° |
| FE2 | S2 | FE3 | 72.8° | 70.8° |
| S2 | FE2 | S3 | 102.1° | 109.2° |
| S2 | FE3 | S3 | 101.1° | 109.1° |
| FE2 | S3 | FE3 | 73.1° | 70.8° |
| FE2 | S3 | FE4 | 76.7° | 70.8° |
| FE3 | S3 | FE4 | 118.7° | 107.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FE1 | S1 | FE2 | FE4 | 74.8° | 113.5° |
| FE1 | S1 | FE2 | S2 | 23.3° | 1.8° |
| S1 | FE1 | S2 | FE3 | 90.3° | 62.7° |
| FE1 | S1 | FE2 | S3 | 83.6° | 117.3° |
| FE1 | S1 | FE4 | S3 | 80.6° | 67.0° |
| S1 | FE2 | S2 | S3 | 107.6° | 119.0° |
| S1 | FE2 | S2 | FE3 | 132.6° | 120.9° |
| S1 | FE2 | S3 | FE3 | 134.7° | 121.0° |
| FE2 | S1 | FE4 | S3 | 8.5° | 3.9° |
| FE4 | S1 | FE1 | S2 | 106.5° | 65.0° |
| FE4 | S1 | FE2 | S2 | 98.1° | 115.3° |
| S1 | FE4 | S3 | FE3 | 70.5° | 65.6° |
| FE1 | S2 | FE2 | FE3 | 109.1° | 119.1° |
| FE1 | S2 | FE2 | S3 | 84.1° | 117.2° |
| FE1 | S2 | FE3 | S3 | 39.7° | 59.1° |
| FE2 | S2 | FE3 | S3 | 24.7° | 1.9° |
| S2 | FE2 | S3 | FE4 | 101.0° | 115.3° |
| S2 | FE3 | S3 | FE4 | 39.1° | 59.9° |
| FE2 | S3 | FE3 | FE4 | 63.9° | 61.8° |
