BF8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | FE5 | sing | 1.94Å | 2.05Å | |
| S1 | FE3 | sing | 2.27Å | 2.22Å | |
| S1 | FE4 | sing | 2.29Å | 2.18Å | |
| S2 | FE1 | sing | 2.28Å | 2.22Å | |
| S2 | FE3 | sing | 2.27Å | 2.23Å | |
| S2 | FE4 | sing | 2.27Å | 2.24Å | |
| S3 | FE1 | sing | 2.27Å | 2.18Å | |
| S3 | FE4 | sing | 2.29Å | 2.28Å | |
| S3 | FE5 | sing | 2.34Å | 2.18Å | |
| S4 | FE1 | sing | 2.28Å | 2.29Å | |
| S4 | FE3 | sing | 2.27Å | 2.23Å | |
| S4 | NI | sing | 2.14Å | 2.05Å | |
| NI | S1 | sing | 2.14Å | 2.41Å | |
| O | NI | sing | 1.86Å | 2.60Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | FE5 | S3 | 131.5° | 111.9° |
| FE5 | O | NI | 86.4° | 88.7° |
| FE3 | S1 | FE4 | 70.8° | 70.7° |
| S1 | FE3 | S2 | 107.6° | 108.2° |
| S1 | FE3 | S4 | 101.1° | 89.1° |
| FE3 | S1 | NI | 70.4° | 87.3° |
| S1 | FE4 | S2 | 108.7° | 107.2° |
| S1 | FE4 | S3 | 107.2° | 112.2° |
| FE4 | S1 | NI | 115.4° | 88.7° |
| FE1 | S2 | FE3 | 65.4° | 71.3° |
| FE1 | S2 | FE4 | 69.2° | 68.8° |
| S2 | FE1 | S3 | 105.5° | 104.0° |
| S2 | FE1 | S4 | 110.8° | 107.5° |
| FE3 | S2 | FE4 | 69.6° | 70.9° |
| S2 | FE3 | S4 | 112.7° | 108.6° |
| S2 | FE4 | S3 | 101.5° | 103.8° |
| FE1 | S3 | FE4 | 69.1° | 68.7° |
| FE1 | S3 | FE5 | 97.4° | 106.7° |
| S3 | FE1 | S4 | 116.1° | 107.3° |
| FE4 | S3 | FE5 | 110.1° | 119.8° |
| FE1 | S4 | FE3 | 64.1° | 71.4° |
| FE1 | S4 | NI | 110.4° | 93.0° |
| FE3 | S4 | NI | 77.2° | 87.2° |
| S4 | NI | S1 | 100.6° | 95.7° |
| S4 | NI | O | 75.1° | 87.0° |
| S1 | NI | O | 120.0° | 175.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | FE5 | S3 | FE1 | 10.4° | 23.3° |
| O | FE5 | S3 | FE4 | 80.9° | 51.4° |
| FE5 | O | NI | S4 | 93.3° | 113.6° |
| FE5 | O | NI | S1 | 0.4° | 15.4° |
| FE3 | S1 | FE4 | NI | 56.0° | 87.6° |
| S1 | FE3 | S2 | FE1 | 89.6° | 86.8° |
| S1 | FE3 | S2 | S4 | 110.6° | 95.3° |
| FE3 | S1 | FE4 | S2 | 14.1° | 13.3° |
| FE3 | S1 | FE4 | S3 | 94.9° | 100.0° |
| S1 | FE3 | S4 | FE1 | 94.0° | 100.4° |
| FE3 | S1 | NI | S4 | 25.3° | 6.7° |
| FE3 | S1 | NI | O | 104.1° | 122.0° |
| S1 | FE4 | S2 | FE1 | 84.8° | 90.0° |
| S1 | FE4 | S2 | S3 | 112.8° | 118.9° |
| S1 | FE4 | S3 | FE1 | 85.4° | 86.4° |
| S1 | FE4 | S3 | FE5 | 5.0° | 11.2° |
| FE4 | S1 | FE3 | S4 | 104.2° | 95.9° |
| FE4 | S1 | NI | S4 | 30.9° | 77.5° |
| FE4 | S1 | NI | O | 47.9° | 51.2° |
| FE1 | S2 | FE3 | FE4 | 75.7° | 73.4° |
| S2 | FE1 | S3 | S4 | 123.2° | 113.8° |
| FE1 | S2 | FE4 | S3 | 28.0° | 28.9° |
| S2 | FE1 | S3 | FE5 | 138.1° | 145.1° |
| FE1 | S2 | FE3 | S4 | 21.0° | 8.5° |
| S2 | FE1 | S4 | NI | 84.0° | 94.4° |
| FE3 | S2 | FE1 | S3 | 106.3° | 105.3° |
| FE3 | S2 | FE4 | S3 | 98.5° | 105.6° |
| S2 | FE3 | S4 | NI | 141.1° | 102.6° |
| S2 | FE3 | S1 | NI | 141.5° | 103.0° |
| S2 | FE4 | S3 | FE5 | 119.0° | 126.6° |
| FE4 | S2 | FE1 | S4 | 96.5° | 84.5° |
| FE4 | S2 | FE3 | S4 | 96.7° | 81.8° |
| S2 | FE4 | S1 | NI | 70.2° | 100.9° |
| FE1 | S3 | FE4 | FE5 | 90.4° | 97.6° |
| S3 | FE1 | S4 | FE3 | 100.0° | 103.0° |
| S3 | FE1 | S4 | NI | 36.3° | 17.0° |
| FE4 | S3 | FE1 | S4 | 93.8° | 84.8° |
| S3 | FE4 | S1 | NI | 38.8° | 12.5° |
| FE5 | S3 | FE1 | S4 | 15.0° | 31.3° |
| S3 | FE5 | O | NI | 67.1° | 41.7° |
| FE1 | S4 | FE3 | NI | 120.5° | 94.1° |
| FE1 | S4 | NI | S1 | 31.6° | 77.9° |
| FE1 | S4 | NI | O | 86.9° | 98.7° |
| FE3 | S4 | NI | O | 142.7° | 169.9° |
| S4 | NI | S1 | O | 78.8° | 128.7° |
