SF3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FE1 | S1 | sing | 2.29Å | 2.30Å | |
| FE1 | S2 | sing | 2.27Å | 2.35Å | |
| FE1 | S3 | sing | 2.30Å | 2.33Å | |
| FE3 | S1 | sing | 2.29Å | 2.22Å | |
| FE3 | S3 | sing | 2.29Å | 2.22Å | |
| FE4 | S2 | sing | 2.33Å | 2.36Å | |
| FE4 | S3 | sing | 2.33Å | 2.34Å | |
| FE7 | S2 | sing | 2.33Å | 2.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1 | FE1 | S2 | 116.7° | 109.5° |
| S1 | FE1 | S3 | 101.9° | 111.8° |
| FE1 | S1 | FE3 | 75.1° | 67.9° |
| S2 | FE1 | S3 | 105.3° | 111.4° |
| FE1 | S2 | FE4 | 74.4° | 70.0° |
| FE1 | S2 | FE7 | 115.3° | 119.4° |
| FE1 | S3 | FE3 | 74.5° | 67.9° |
| FE1 | S3 | FE4 | 75.0° | 69.6° |
| S1 | FE3 | S3 | 108.6° | 112.4° |
| FE3 | S3 | FE4 | 112.1° | 106.3° |
| S2 | FE4 | S3 | 104.7° | 108.5° |
| FE4 | S2 | FE7 | 121.7° | 125.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | FE1 | S2 | S3 | 112.1° | 124.2° |
| S1 | FE1 | S3 | FE3 | 1.9° | 0.0° |
| S1 | FE1 | S2 | FE4 | 106.5° | 119.6° |
| S1 | FE1 | S3 | FE4 | 116.6° | 118.2° |
| S1 | FE1 | S2 | FE7 | 11.6° | 1.2° |
| S2 | FE1 | S1 | FE3 | 116.0° | 124.0° |
| S2 | FE1 | S3 | FE3 | 124.2° | 122.9° |
| FE1 | S2 | FE4 | FE7 | 110.4° | 112.5° |
| S2 | FE1 | S3 | FE4 | 5.6° | 4.7° |
| FE1 | S3 | FE3 | FE4 | 66.3° | 59.3° |
| S3 | FE1 | S2 | FE7 | 123.7° | 125.4° |
| S1 | FE3 | S3 | FE4 | 64.2° | 59.3° |
| FE3 | S3 | FE4 | S2 | 71.5° | 62.7° |
| S3 | FE4 | S2 | FE7 | 116.0° | 117.0° |
