A1JPX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | FE1 | sing | 2.40Å | 2.40Å | |
| S2A | FE1 | sing | 2.36Å | 2.36Å | |
| S2A | FE2 | sing | 2.31Å | 2.31Å | |
| S2A | FE3 | sing | 2.33Å | 2.33Å | |
| S2B | FE5 | sing | 2.23Å | 2.23Å | |
| S2B | FE7 | sing | 2.29Å | 2.29Å | |
| S3A | FE1 | sing | 2.32Å | 2.32Å | |
| S3A | FE3 | sing | 2.35Å | 2.35Å | |
| S3A | FE4 | sing | 2.29Å | 2.29Å | |
| S3B | FE6 | sing | 2.39Å | 2.39Å | |
| S3B | FE7 | sing | 2.29Å | 2.29Å | |
| S3B | FE8 | sing | 2.27Å | 2.27Å | |
| S4A | FE2 | sing | 2.34Å | 2.34Å | |
| S4A | FE3 | sing | 2.29Å | 2.29Å | |
| S4A | FE4 | sing | 2.27Å | 2.27Å | |
| S4B | FE5 | sing | 2.36Å | 2.36Å | |
| S4B | FE7 | sing | 2.31Å | 2.31Å | |
| S4B | FE8 | sing | 2.31Å | 2.31Å | |
| S1 | FE8 | sing | 2.41Å | 2.41Å | |
| S1 | FE6 | sing | 2.51Å | 2.51Å | |
| S1 | FE2 | sing | 2.44Å | 2.44Å | |
| S1 | FE4 | sing | 2.41Å | 2.41Å | |
| S2B | FE6 | sing | 2.43Å | 2.43Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S1 | FE1 | S2A | 112.5° | 112.5° |
| S1 | FE1 | S3A | 107.7° | 107.7° |
| FE1 | S1 | FE8 | 134.0° | 134.0° |
| FE1 | S1 | FE6 | 161.9° | 161.9° |
| FE1 | S1 | FE2 | 64.0° | 64.0° |
| FE1 | S1 | FE4 | 65.6° | 65.6° |
| FE1 | S2A | FE2 | 66.6° | 66.6° |
| FE1 | S2A | FE3 | 73.3° | 73.3° |
| S2A | FE1 | S3A | 103.7° | 103.7° |
| FE2 | S2A | FE3 | 76.3° | 76.3° |
| S2A | FE2 | S4A | 99.8° | 99.8° |
| S2A | FE2 | S1 | 113.0° | 113.0° |
| S2A | FE3 | S3A | 103.6° | 103.6° |
| S2A | FE3 | S4A | 100.4° | 100.4° |
| FE5 | S2B | FE7 | 75.7° | 75.7° |
| S2B | FE5 | S4B | 104.7° | 104.7° |
| FE5 | S2B | FE6 | 90.4° | 90.4° |
| S2B | FE7 | S3B | 103.2° | 103.2° |
| S2B | FE7 | S4B | 104.1° | 104.1° |
| FE7 | S2B | FE6 | 74.6° | 74.6° |
| FE1 | S3A | FE3 | 73.7° | 73.7° |
| FE1 | S3A | FE4 | 68.7° | 68.7° |
| FE3 | S3A | FE4 | 72.2° | 72.2° |
| S3A | FE3 | S4A | 104.1° | 104.1° |
| S3A | FE4 | S4A | 106.6° | 106.6° |
| S3A | FE4 | S1 | 108.2° | 108.2° |
| FE6 | S3B | FE7 | 75.3° | 75.3° |
| FE6 | S3B | FE8 | 59.8° | 59.8° |
| S3B | FE6 | S1 | 114.1° | 114.1° |
| S3B | FE6 | S2B | 96.3° | 96.3° |
| FE7 | S3B | FE8 | 73.7° | 73.7° |
| S3B | FE7 | S4B | 103.0° | 103.0° |
| S3B | FE8 | S4B | 103.9° | 103.9° |
| S3B | FE8 | S1 | 123.2° | 123.2° |
| FE2 | S4A | FE3 | 76.6° | 76.6° |
| FE2 | S4A | FE4 | 70.4° | 70.4° |
| S4A | FE2 | S1 | 106.6° | 106.6° |
| FE3 | S4A | FE4 | 73.7° | 73.7° |
| S4A | FE4 | S1 | 109.5° | 109.5° |
| FE5 | S4B | FE7 | 72.8° | 72.8° |
| FE5 | S4B | FE8 | 93.7° | 93.7° |
| FE7 | S4B | FE8 | 72.5° | 72.5° |
| S4B | FE8 | S1 | 109.3° | 109.3° |
| FE8 | S1 | FE6 | 56.3° | 56.3° |
| FE8 | S1 | FE2 | 72.5° | 72.5° |
| FE8 | S1 | FE4 | 110.3° | 110.3° |
| FE6 | S1 | FE2 | 128.8° | 128.8° |
| FE6 | S1 | FE4 | 129.0° | 129.0° |
| S1 | FE6 | S2B | 116.4° | 116.4° |
| FE2 | S1 | FE4 | 66.5° | 66.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | FE1 | S2A | S3A | 116.0° | 116.0° |
| FE1 | S1 | FE2 | S2A | 15.7° | 15.7° |
| S1 | FE1 | S2A | FE3 | 97.8° | 97.8° |
| S1 | FE1 | S3A | FE3 | 101.3° | 101.3° |
| FE1 | S1 | FE4 | S3A | 24.2° | 24.2° |
| FE1 | S1 | FE6 | S3B | 111.3° | 111.3° |
| FE1 | S1 | FE8 | S3B | 138.8° | 138.8° |
| FE1 | S1 | FE2 | S4A | 92.9° | 92.9° |
| FE1 | S1 | FE4 | S4A | 91.6° | 91.6° |
| FE1 | S1 | FE8 | S4B | 99.0° | 99.0° |
| FE1 | S1 | FE8 | FE6 | 160.8° | 160.8° |
| FE1 | S1 | FE8 | FE2 | 19.4° | 19.4° |
| FE1 | S1 | FE8 | FE4 | 75.2° | 75.2° |
| FE1 | S1 | FE6 | FE2 | 130.6° | 130.6° |
| FE1 | S1 | FE6 | FE4 | 139.9° | 139.9° |
| FE1 | S1 | FE2 | FE4 | 73.2° | 73.2° |
| FE1 | S1 | FE6 | S2B | 137.8° | 137.8° |
| FE1 | S2A | FE2 | FE3 | 77.5° | 77.5° |
| FE1 | S2A | FE3 | S3A | 18.0° | 18.0° |
| S2A | FE1 | S3A | FE4 | 94.9° | 94.9° |
| FE1 | S2A | FE2 | S4A | 97.3° | 97.3° |
| FE1 | S2A | FE3 | S4A | 89.4° | 89.4° |
| S2A | FE1 | S1 | FE8 | 5.4° | 5.4° |
| S2A | FE1 | S1 | FE6 | 123.6° | 123.6° |
| S2A | FE1 | S1 | FE4 | 89.8° | 89.8° |
| FE2 | S2A | FE1 | S3A | 100.2° | 100.2° |
| FE2 | S2A | FE3 | S3A | 87.3° | 87.3° |
| S2A | FE2 | S4A | S1 | 117.7° | 117.7° |
| FE2 | S2A | FE3 | S4A | 20.2° | 20.2° |
| S2A | FE2 | S4A | FE4 | 97.3° | 97.3° |
| S2A | FE2 | S1 | FE8 | 148.9° | 148.9° |
| S2A | FE2 | S1 | FE6 | 149.1° | 149.1° |
| S2A | FE2 | S1 | FE4 | 88.8° | 88.8° |
| S2A | FE3 | S3A | S4A | 104.6° | 104.6° |
| S2A | FE3 | S3A | FE4 | 90.6° | 90.6° |
| S2A | FE3 | S4A | FE4 | 93.0° | 93.0° |
| FE3 | S2A | FE2 | S1 | 93.1° | 93.1° |
| FE5 | S2B | FE7 | FE6 | 94.5° | 94.5° |
| FE5 | S2B | FE6 | S3B | 98.8° | 98.8° |
| FE5 | S2B | FE7 | S3B | 119.9° | 119.9° |
| FE5 | S2B | FE7 | S4B | 12.7° | 12.7° |
| S2B | FE5 | S4B | FE8 | 57.9° | 57.9° |
| FE5 | S2B | FE6 | S1 | 22.1° | 22.1° |
| FE7 | S2B | FE6 | S3B | 23.8° | 23.8° |
| S2B | FE7 | S3B | S4B | 108.1° | 108.1° |
| S2B | FE7 | S3B | FE8 | 88.0° | 88.0° |
| S2B | FE7 | S4B | FE8 | 87.5° | 87.5° |
| FE7 | S2B | FE6 | S1 | 97.1° | 97.1° |
| FE1 | S3A | FE3 | FE4 | 72.3° | 72.3° |
| FE1 | S3A | FE3 | S4A | 86.3° | 86.3° |
| FE1 | S3A | FE4 | S4A | 93.2° | 93.2° |
| S3A | FE1 | S1 | FE8 | 119.0° | 119.0° |
| S3A | FE1 | S1 | FE6 | 122.8° | 122.8° |
| S3A | FE1 | S1 | FE2 | 98.4° | 98.4° |
| S3A | FE3 | S4A | FE2 | 87.2° | 87.2° |
| FE3 | S3A | FE4 | S4A | 14.3° | 14.3° |
| FE3 | S3A | FE4 | S1 | 103.4° | 103.4° |
| S3A | FE4 | S4A | FE2 | 95.8° | 95.8° |
| S3A | FE4 | S4A | S1 | 116.8° | 116.8° |
| S3A | FE4 | S1 | FE8 | 154.4° | 154.4° |
| S3A | FE4 | S1 | FE6 | 143.1° | 143.1° |
| S3A | FE4 | S1 | FE2 | 95.1° | 95.1° |
| FE6 | S3B | FE7 | FE8 | 62.3° | 62.3° |
| FE6 | S3B | FE7 | S4B | 82.4° | 82.4° |
| FE6 | S3B | FE8 | S4B | 102.4° | 102.4° |
| FE6 | S3B | FE8 | S1 | 22.3° | 22.3° |
| S3B | FE6 | S1 | S2B | 110.8° | 110.8° |
| S3B | FE6 | S1 | FE2 | 19.2° | 19.2° |
| S3B | FE6 | S1 | FE4 | 108.8° | 108.8° |
| S3B | FE7 | S4B | FE5 | 119.5° | 119.5° |
| FE7 | S3B | FE8 | S4B | 20.2° | 20.2° |
| FE7 | S3B | FE8 | S1 | 104.5° | 104.5° |
| FE7 | S3B | FE6 | S1 | 98.9° | 98.9° |
| S3B | FE8 | S4B | FE5 | 90.8° | 90.8° |
| S3B | FE8 | S4B | S1 | 133.2° | 133.2° |
| S3B | FE8 | S1 | FE2 | 158.2° | 158.2° |
| S3B | FE8 | S1 | FE4 | 146.0° | 146.0° |
| FE8 | S3B | FE6 | S2B | 103.1° | 103.1° |
| FE2 | S4A | FE3 | FE4 | 73.2° | 73.2° |
| S4A | FE2 | S1 | FE8 | 102.5° | 102.5° |
| S4A | FE2 | S1 | FE6 | 102.3° | 102.3° |
| FE2 | S4A | FE4 | S1 | 21.0° | 21.0° |
| FE3 | S4A | FE2 | S1 | 97.6° | 97.6° |
| FE3 | S4A | FE4 | S1 | 102.2° | 102.2° |
| S4A | FE4 | S1 | FE8 | 38.6° | 38.6° |
| S4A | FE4 | S1 | FE6 | 101.1° | 101.1° |
| FE5 | S4B | FE7 | FE8 | 99.7° | 99.7° |
| FE5 | S4B | FE8 | S1 | 42.4° | 42.4° |
| S4B | FE5 | S2B | FE6 | 61.5° | 61.5° |
| FE7 | S4B | FE8 | S1 | 113.0° | 113.0° |
| S4B | FE7 | S2B | FE6 | 81.8° | 81.8° |
| S4B | FE8 | S1 | FE6 | 100.2° | 100.2° |
| S4B | FE8 | S1 | FE2 | 79.6° | 79.6° |
| S4B | FE8 | S1 | FE4 | 23.8° | 23.8° |
| FE8 | S1 | FE6 | FE2 | 0.2° | 0.2° |
| FE8 | S1 | FE6 | FE4 | 89.8° | 89.8° |
| FE8 | S1 | FE2 | FE4 | 122.2° | 122.2° |
| FE8 | S1 | FE6 | S2B | 91.8° | 91.8° |
| FE6 | S1 | FE2 | FE4 | 122.0° | 122.0° |
| FE2 | S1 | FE6 | S2B | 91.6° | 91.6° |
| FE4 | S1 | FE6 | S2B | 2.0° | 2.0° |
