Q46
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S4 | FE1 | sing | 2.28Å | 2.31Å | |
| S4 | FE3 | sing | 2.28Å | 2.30Å | |
| S4 | FE2 | sing | 2.28Å | 2.31Å | |
| FE1 | S3 | sing | 2.27Å | 2.31Å | |
| FE1 | S2 | sing | 2.28Å | 2.29Å | |
| FE3 | S2 | sing | 2.27Å | 2.30Å | |
| FE3 | S1 | sing | 2.28Å | 2.30Å | |
| FE3 | S5 | sing | 2.28Å | 2.37Å | |
| FE2 | S3 | sing | 2.27Å | 2.30Å | |
| FE2 | S1 | sing | 2.28Å | 2.29Å | |
| S3 | FE4 | sing | 2.28Å | 2.29Å | |
| FE4 | S2 | sing | 2.27Å | 2.30Å | |
| FE4 | S1 | sing | 2.28Å | 2.30Å | |
| S5 | H1 | sing | 1.23Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FE1 | S4 | FE3 | 73.5° | 69.8° |
| FE1 | S4 | FE2 | 73.5° | 70.0° |
| S4 | FE1 | S3 | 104.1° | 106.6° |
| S4 | FE1 | S2 | 103.9° | 106.7° |
| FE3 | S4 | FE2 | 73.3° | 69.9° |
| S4 | FE3 | S2 | 104.2° | 107.1° |
| S4 | FE3 | S1 | 104.6° | 107.0° |
| S4 | FE3 | S5 | 127.8° | 111.8° |
| S4 | FE2 | S3 | 104.3° | 106.6° |
| S4 | FE2 | S1 | 104.4° | 106.8° |
| S3 | FE1 | S2 | 104.6° | 106.7° |
| FE1 | S3 | FE2 | 73.7° | 70.4° |
| FE1 | S3 | FE4 | 73.2° | 70.3° |
| FE1 | S2 | FE3 | 73.8° | 70.0° |
| FE1 | S2 | FE4 | 73.2° | 70.3° |
| S2 | FE3 | S1 | 104.3° | 106.9° |
| S2 | FE3 | S5 | 115.3° | 111.8° |
| FE3 | S2 | FE4 | 73.5° | 70.1° |
| S1 | FE3 | S5 | 97.5° | 111.8° |
| FE3 | S1 | FE2 | 73.5° | 69.8° |
| FE3 | S1 | FE4 | 73.4° | 69.8° |
| FE3 | S5 | H1 | 102.0° | 109.5° |
| S3 | FE2 | S1 | 104.3° | 106.8° |
| FE2 | S3 | FE4 | 73.3° | 70.3° |
| FE2 | S1 | FE4 | 73.3° | 70.1° |
| S3 | FE4 | S2 | 104.9° | 106.6° |
| S3 | FE4 | S1 | 104.5° | 106.5° |
| S2 | FE4 | S1 | 104.3° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FE1 | S4 | FE3 | FE2 | 77.2° | 75.3° |
| S4 | FE1 | S3 | S2 | 108.7° | 113.7° |
| FE1 | S4 | FE3 | S2 | 16.2° | 19.4° |
| FE1 | S4 | FE3 | S1 | 93.0° | 94.9° |
| FE1 | S4 | FE3 | S5 | 155.2° | 142.3° |
| FE1 | S4 | FE2 | S3 | 16.0° | 19.3° |
| FE1 | S4 | FE2 | S1 | 93.2° | 94.6° |
| S4 | FE1 | S3 | FE4 | 93.1° | 94.8° |
| S4 | FE1 | S2 | FE4 | 93.4° | 94.6° |
| FE3 | S4 | FE1 | S3 | 93.0° | 94.5° |
| S4 | FE3 | S2 | S1 | 109.4° | 114.4° |
| S4 | FE3 | S2 | S5 | 145.0° | 122.9° |
| S4 | FE3 | S1 | S5 | 132.2° | 122.8° |
| FE3 | S4 | FE2 | S3 | 93.4° | 94.4° |
| FE3 | S4 | FE2 | S1 | 15.9° | 19.5° |
| S4 | FE3 | S2 | FE4 | 93.2° | 94.9° |
| S4 | FE3 | S1 | FE4 | 93.0° | 95.0° |
| S4 | FE3 | S5 | H1 | 180.0° | 175.9° |
| FE2 | S4 | FE1 | S2 | 93.2° | 94.4° |
| FE2 | S4 | FE3 | S2 | 93.5° | 94.8° |
| FE2 | S4 | FE3 | S5 | 127.6° | 142.3° |
| S4 | FE2 | S3 | S1 | 109.3° | 114.0° |
| S4 | FE2 | S3 | FE4 | 92.9° | 94.8° |
| S4 | FE2 | S1 | FE4 | 93.0° | 94.6° |
| S3 | FE1 | S2 | FE3 | 92.7° | 94.3° |
| FE1 | S3 | FE2 | FE4 | 76.9° | 75.4° |
| FE1 | S3 | FE2 | S1 | 93.2° | 94.6° |
| S3 | FE1 | S2 | FE4 | 15.5° | 19.1° |
| FE1 | S3 | FE4 | S1 | 93.8° | 94.7° |
| FE1 | S2 | FE3 | FE4 | 76.9° | 75.5° |
| FE1 | S2 | FE3 | S1 | 93.1° | 95.0° |
| FE1 | S2 | FE3 | S5 | 161.3° | 142.3° |
| S2 | FE1 | S3 | FE2 | 92.7° | 94.4° |
| FE1 | S2 | FE4 | S1 | 93.9° | 94.6° |
| S2 | FE3 | S1 | S5 | 118.6° | 122.7° |
| S2 | FE3 | S1 | FE2 | 93.3° | 94.9° |
| FE3 | S2 | FE4 | S3 | 93.3° | 94.1° |
| S2 | FE3 | S1 | FE4 | 16.2° | 19.5° |
| S2 | FE3 | S5 | H1 | 44.7° | 55.7° |
| FE3 | S1 | FE2 | S3 | 93.4° | 94.3° |
| FE3 | S1 | FE2 | FE4 | 77.2° | 75.0° |
| FE3 | S1 | FE4 | S3 | 93.7° | 94.2° |
| S1 | FE3 | S5 | H1 | 65.0° | 64.1° |
| S5 | FE3 | S1 | FE2 | 148.2° | 142.3° |
| S5 | FE3 | S2 | FE4 | 121.8° | 142.2° |
| S5 | FE3 | S1 | FE4 | 134.8° | 142.2° |
| FE2 | S3 | FE4 | S2 | 93.1° | 94.6° |
| S3 | FE2 | S1 | FE4 | 16.3° | 19.2° |
| FE2 | S1 | FE4 | S2 | 93.5° | 94.6° |
| S3 | FE4 | S2 | S1 | 109.5° | 113.6° |
