BJ8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | FE2 | sing | 2.25Å | 2.25Å | |
| S1 | FE3 | sing | 2.17Å | 2.17Å | |
| S1 | FE4 | sing | 2.20Å | 2.20Å | |
| S2 | FE1 | sing | 2.34Å | 2.34Å | |
| S2 | FE3 | sing | 2.30Å | 2.30Å | |
| S2 | FE4 | sing | 2.35Å | 2.35Å | |
| S3 | FE1 | sing | 2.23Å | 2.23Å | |
| S3 | FE2 | sing | 2.20Å | 2.20Å | |
| S3 | FE4 | sing | 2.26Å | 2.26Å | |
| S4 | FE1 | sing | 2.24Å | 2.24Å | |
| S4 | FE2 | sing | 2.18Å | 2.18Å | |
| S4 | FE3 | sing | 2.26Å | 2.26Å | |
| S5 | FE6 | sing | 2.29Å | 2.29Å | |
| S5 | FE7 | sing | 2.28Å | 2.28Å | |
| S6 | FE5 | sing | 2.30Å | 2.30Å | |
| S6 | FE7 | sing | 2.35Å | 2.35Å | |
| S6 | FE8 | sing | 2.28Å | 2.28Å | |
| S7 | FE5 | sing | 2.21Å | 2.21Å | |
| S7 | FE6 | sing | 2.30Å | 2.30Å | |
| S7 | FE8 | sing | 2.28Å | 2.28Å | |
| S8 | FE5 | sing | 2.34Å | 2.34Å | |
| S8 | FE6 | sing | 2.26Å | 2.26Å | |
| S8 | FE7 | sing | 2.32Å | 2.32Å | |
| S9 | FE1 | sing | 2.26Å | 2.26Å | |
| S9 | FE8 | sing | 2.21Å | 2.21Å | |
| S5 | FE8 | sing | 2.40Å | 2.40Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FE2 | S1 | FE3 | 73.9° | 73.9° |
| FE2 | S1 | FE4 | 73.8° | 73.8° |
| S1 | FE2 | S3 | 105.0° | 105.0° |
| S1 | FE2 | S4 | 104.5° | 104.5° |
| FE3 | S1 | FE4 | 77.0° | 77.0° |
| S1 | FE3 | S2 | 104.1° | 104.1° |
| S1 | FE3 | S4 | 104.8° | 104.8° |
| S1 | FE4 | S2 | 101.2° | 101.2° |
| S1 | FE4 | S3 | 104.4° | 104.4° |
| FE1 | S2 | FE3 | 72.0° | 72.0° |
| FE1 | S2 | FE4 | 70.6° | 70.6° |
| S2 | FE1 | S3 | 106.8° | 106.8° |
| S2 | FE1 | S4 | 104.0° | 104.0° |
| S2 | FE1 | S9 | 114.9° | 114.9° |
| FE3 | S2 | FE4 | 71.5° | 71.5° |
| S2 | FE3 | S4 | 104.9° | 104.9° |
| S2 | FE4 | S3 | 105.2° | 105.2° |
| FE1 | S3 | FE2 | 75.1° | 75.1° |
| FE1 | S3 | FE4 | 74.2° | 74.2° |
| S3 | FE1 | S4 | 100.5° | 100.5° |
| S3 | FE1 | S9 | 106.8° | 106.8° |
| FE2 | S3 | FE4 | 73.6° | 73.6° |
| S3 | FE2 | S4 | 103.5° | 103.5° |
| FE1 | S4 | FE2 | 75.3° | 75.3° |
| FE1 | S4 | FE3 | 74.7° | 74.7° |
| S4 | FE1 | S9 | 122.1° | 122.1° |
| FE2 | S4 | FE3 | 73.6° | 73.6° |
| FE6 | S5 | FE7 | 72.3° | 72.3° |
| S5 | FE6 | S7 | 106.9° | 106.9° |
| S5 | FE6 | S8 | 105.3° | 105.3° |
| FE6 | S5 | FE8 | 72.2° | 72.2° |
| S5 | FE7 | S6 | 106.1° | 106.1° |
| S5 | FE7 | S8 | 103.5° | 103.5° |
| FE7 | S5 | FE8 | 71.5° | 71.5° |
| FE5 | S6 | FE7 | 69.9° | 69.9° |
| FE5 | S6 | FE8 | 72.6° | 72.6° |
| S6 | FE5 | S7 | 104.7° | 104.7° |
| S6 | FE5 | S8 | 109.0° | 109.0° |
| FE7 | S6 | FE8 | 72.6° | 72.6° |
| S6 | FE7 | S8 | 107.9° | 107.9° |
| S6 | FE8 | S7 | 103.1° | 103.1° |
| S6 | FE8 | S9 | 117.5° | 117.5° |
| S6 | FE8 | S5 | 104.6° | 104.6° |
| FE5 | S7 | FE6 | 74.5° | 74.5° |
| FE5 | S7 | FE8 | 74.2° | 74.2° |
| S7 | FE5 | S8 | 103.5° | 103.5° |
| FE6 | S7 | FE8 | 74.1° | 74.1° |
| S7 | FE6 | S8 | 103.1° | 103.1° |
| S7 | FE8 | S9 | 117.0° | 117.0° |
| S7 | FE8 | S5 | 103.9° | 103.9° |
| FE5 | S8 | FE6 | 72.8° | 72.8° |
| FE5 | S8 | FE7 | 69.6° | 69.6° |
| FE6 | S8 | FE7 | 72.1° | 72.1° |
| FE1 | S9 | FE8 | 113.5° | 113.5° |
| S9 | FE8 | S5 | 109.3° | 109.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FE2 | S1 | FE3 | FE4 | 76.6° | 76.6° |
| FE2 | S1 | FE3 | S2 | 96.4° | 96.4° |
| FE2 | S1 | FE4 | S2 | 95.8° | 95.8° |
| S1 | FE2 | S3 | FE1 | 91.0° | 91.0° |
| S1 | FE2 | S3 | S4 | 109.3° | 109.3° |
| FE2 | S1 | FE4 | S3 | 13.3° | 13.3° |
| S1 | FE2 | S4 | FE1 | 91.5° | 91.5° |
| FE2 | S1 | FE3 | S4 | 13.6° | 13.6° |
| S1 | FE3 | S2 | FE1 | 93.9° | 93.9° |
| S1 | FE3 | S2 | S4 | 109.8° | 109.8° |
| FE3 | S1 | FE4 | S2 | 19.0° | 19.0° |
| FE3 | S1 | FE2 | S3 | 94.6° | 94.6° |
| FE3 | S1 | FE4 | S3 | 90.1° | 90.1° |
| S1 | FE3 | S4 | FE1 | 92.9° | 92.9° |
| S1 | FE4 | S2 | FE1 | 95.2° | 95.2° |
| S1 | FE4 | S2 | S3 | 108.4° | 108.4° |
| S1 | FE4 | S3 | FE1 | 92.4° | 92.4° |
| FE4 | S1 | FE2 | S4 | 94.8° | 94.8° |
| FE4 | S1 | FE3 | S4 | 90.2° | 90.2° |
| FE1 | S2 | FE3 | FE4 | 75.0° | 75.0° |
| S2 | FE1 | S3 | S4 | 108.3° | 108.3° |
| S2 | FE1 | S3 | S9 | 123.3° | 123.3° |
| S2 | FE1 | S3 | FE2 | 90.7° | 90.7° |
| FE1 | S2 | FE4 | S3 | 13.3° | 13.3° |
| S2 | FE1 | S4 | S9 | 132.0° | 132.0° |
| S2 | FE1 | S4 | FE2 | 92.7° | 92.7° |
| FE1 | S2 | FE3 | S4 | 16.0° | 16.0° |
| S2 | FE1 | S9 | FE8 | 12.8° | 12.8° |
| FE3 | S2 | FE1 | S3 | 89.7° | 89.7° |
| FE3 | S2 | FE4 | S3 | 90.1° | 90.1° |
| S2 | FE3 | S4 | FE2 | 95.3° | 95.3° |
| FE3 | S2 | FE1 | S9 | 152.1° | 152.1° |
| S2 | FE4 | S3 | FE2 | 92.4° | 92.4° |
| FE4 | S2 | FE1 | S4 | 92.2° | 92.2° |
| FE4 | S2 | FE3 | S4 | 91.0° | 91.0° |
| FE4 | S2 | FE1 | S9 | 131.7° | 131.7° |
| FE1 | S3 | FE2 | FE4 | 77.6° | 77.6° |
| S3 | FE1 | S4 | S9 | 117.6° | 117.6° |
| FE1 | S3 | FE2 | S4 | 18.3° | 18.3° |
| S3 | FE1 | S4 | FE3 | 94.3° | 94.3° |
| S3 | FE1 | S9 | FE8 | 130.9° | 130.9° |
| S3 | FE2 | S4 | FE3 | 96.2° | 96.2° |
| FE2 | S3 | FE1 | S9 | 146.0° | 146.0° |
| FE4 | S3 | FE1 | S4 | 94.4° | 94.4° |
| FE4 | S3 | FE2 | S4 | 95.9° | 95.9° |
| FE4 | S3 | FE1 | S9 | 137.2° | 137.2° |
| FE1 | S4 | FE2 | FE3 | 78.0° | 78.0° |
| S4 | FE1 | S9 | FE8 | 114.6° | 114.6° |
| FE2 | S4 | FE1 | S9 | 135.3° | 135.3° |
| FE3 | S4 | FE1 | S9 | 148.1° | 148.1° |
| FE6 | S5 | FE7 | FE8 | 76.6° | 76.6° |
| FE6 | S5 | FE7 | S6 | 93.9° | 93.9° |
| FE6 | S5 | FE8 | S6 | 94.6° | 94.6° |
| S5 | FE6 | S7 | FE5 | 91.4° | 91.4° |
| S5 | FE6 | S7 | S8 | 110.7° | 110.7° |
| FE6 | S5 | FE8 | S7 | 13.1° | 13.1° |
| S5 | FE6 | S8 | FE5 | 93.5° | 93.5° |
| FE6 | S5 | FE7 | S8 | 19.5° | 19.5° |
| FE6 | S5 | FE8 | S9 | 138.8° | 138.8° |
| S5 | FE7 | S6 | FE5 | 95.6° | 95.6° |
| S5 | FE7 | S6 | S8 | 110.4° | 110.4° |
| FE7 | S5 | FE8 | S6 | 17.8° | 17.8° |
| FE7 | S5 | FE6 | S7 | 88.9° | 88.9° |
| FE7 | S5 | FE8 | S7 | 90.0° | 90.0° |
| S5 | FE7 | S8 | FE5 | 97.6° | 97.6° |
| FE7 | S5 | FE8 | S9 | 144.4° | 144.4° |
| FE5 | S6 | FE7 | FE8 | 77.4° | 77.4° |
| S6 | FE5 | S7 | S8 | 114.1° | 114.1° |
| S6 | FE5 | S7 | FE6 | 95.4° | 95.4° |
| FE5 | S6 | FE8 | S7 | 17.4° | 17.4° |
| S6 | FE5 | S8 | FE6 | 91.7° | 91.7° |
| FE5 | S6 | FE7 | S8 | 14.8° | 14.8° |
| FE5 | S6 | FE8 | S9 | 147.7° | 147.7° |
| FE5 | S6 | FE8 | S5 | 90.9° | 90.9° |
| FE7 | S6 | FE5 | S7 | 95.4° | 95.4° |
| FE7 | S6 | FE8 | S7 | 91.2° | 91.2° |
| S6 | FE7 | S8 | FE6 | 92.4° | 92.4° |
| FE7 | S6 | FE8 | S9 | 138.6° | 138.6° |
| S6 | FE8 | S7 | FE6 | 95.9° | 95.9° |
| S6 | FE8 | S7 | S9 | 130.6° | 130.6° |
| S6 | FE8 | S7 | S5 | 108.9° | 108.9° |
| FE8 | S6 | FE5 | S8 | 92.1° | 92.1° |
| FE8 | S6 | FE7 | S8 | 92.2° | 92.2° |
| S6 | FE8 | S9 | FE1 | 64.9° | 64.9° |
| S6 | FE8 | S9 | S5 | 118.9° | 118.9° |
| FE5 | S7 | FE6 | FE8 | 77.6° | 77.6° |
| FE5 | S7 | FE6 | S8 | 19.4° | 19.4° |
| S7 | FE5 | S8 | FE7 | 96.0° | 96.0° |
| FE5 | S7 | FE8 | S9 | 148.5° | 148.5° |
| FE5 | S7 | FE8 | S5 | 90.9° | 90.9° |
| S7 | FE6 | S8 | FE7 | 92.0° | 92.0° |
| FE6 | S7 | FE8 | S9 | 133.5° | 133.5° |
| FE8 | S7 | FE5 | S8 | 96.2° | 96.2° |
| FE8 | S7 | FE6 | S8 | 96.9° | 96.9° |
| S7 | FE8 | S9 | FE1 | 58.6° | 58.6° |
| S7 | FE8 | S9 | S5 | 117.6° | 117.6° |
| FE5 | S8 | FE6 | FE7 | 73.6° | 73.6° |
| S8 | FE6 | S5 | FE8 | 95.9° | 95.9° |
| S8 | FE7 | S5 | FE8 | 96.1° | 96.1° |
| FE1 | S9 | FE8 | S5 | 176.2° | 176.2° |
