8JU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S2 | FE2 | sing | 2.33Å | 2.35Å | |
| S2 | FE3 | sing | 2.28Å | 2.26Å | |
| S2 | FE1 | sing | 2.27Å | 2.29Å | |
| FE2 | S3 | sing | 2.32Å | 2.17Å | |
| FE2 | O | sing | 1.90Å | 1.89Å | |
| FE3 | S3 | sing | 2.27Å | 2.26Å | |
| FE3 | S4 | sing | 2.28Å | 2.22Å | |
| FE1 | S4 | sing | 2.28Å | 2.21Å | |
| FE1 | S1 | sing | 2.28Å | 2.23Å | |
| S1 | FE4 | sing | 2.33Å | 1.94Å | |
| FE4 | O | sing | 1.90Å | 1.78Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FE2 | S2 | FE3 | 67.8° | 69.8° |
| FE2 | S2 | FE1 | 86.7° | 105.9° |
| S2 | FE2 | S3 | 109.9° | 108.3° |
| S2 | FE2 | O | 123.9° | 109.5° |
| FE3 | S2 | FE1 | 66.7° | 70.8° |
| S2 | FE3 | S3 | 110.0° | 111.7° |
| S2 | FE3 | S4 | 110.0° | 109.0° |
| S2 | FE1 | S4 | 109.2° | 109.5° |
| S2 | FE1 | S1 | 125.3° | 109.5° |
| S3 | FE2 | O | 97.3° | 109.5° |
| FE2 | S3 | FE3 | 71.0° | 70.0° |
| FE2 | O | FE4 | 124.2° | 115.3° |
| S3 | FE3 | S4 | 111.2° | 109.5° |
| FE3 | S4 | FE1 | 68.7° | 70.7° |
| S4 | FE1 | S1 | 108.4° | 109.5° |
| FE1 | S1 | FE4 | 106.1° | 99.3° |
| S1 | FE4 | O | 107.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FE2 | S2 | FE3 | FE1 | 96.2° | 115.9° |
| S2 | FE2 | S3 | O | 130.1° | 119.3° |
| FE2 | S2 | FE3 | S3 | 8.7° | 3.7° |
| FE2 | S2 | FE3 | S4 | 114.1° | 117.4° |
| FE2 | S2 | FE1 | S4 | 85.1° | 62.8° |
| FE2 | S2 | FE1 | S1 | 45.9° | 57.2° |
| S2 | FE2 | O | FE4 | 56.0° | 65.1° |
| FE3 | S2 | FE2 | O | 104.8° | 115.7° |
| S2 | FE3 | S3 | S4 | 122.1° | 120.9° |
| FE3 | S2 | FE1 | S4 | 17.9° | 1.4° |
| FE3 | S2 | FE1 | S1 | 113.2° | 118.6° |
| FE1 | S2 | FE2 | S3 | 75.3° | 65.6° |
| FE1 | S2 | FE2 | O | 38.6° | 53.7° |
| FE1 | S2 | FE3 | S3 | 105.0° | 119.7° |
| S2 | FE1 | S4 | S1 | 139.6° | 120.0° |
| S2 | FE1 | S1 | FE4 | 62.3° | 60.9° |
| FE2 | S3 | FE3 | S4 | 112.8° | 117.1° |
| S3 | FE2 | O | FE4 | 63.9° | 53.5° |
| O | FE2 | S3 | FE3 | 121.2° | 115.7° |
| FE2 | O | FE4 | S1 | 59.7° | 74.1° |
| S3 | FE3 | S4 | FE1 | 103.9° | 121.0° |
| FE3 | S4 | FE1 | S1 | 121.7° | 118.6° |
| S4 | FE1 | S1 | FE4 | 69.1° | 59.1° |
| FE1 | S1 | FE4 | O | 54.3° | 66.6° |






