A1CBX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | FE1 | sing | 2.19Å | 2.22Å | |
| S1 | FE2 | sing | 2.21Å | 2.18Å | |
| S2 | FE1 | sing | 2.19Å | 2.24Å | |
| S2 | FE2 | sing | 2.21Å | 2.20Å | |
| S3 | FE1 | sing | 2.19Å | 2.24Å | |
| S3 | FE3 | sing | 2.21Å | 2.19Å | |
| S4 | FE1 | sing | 2.19Å | 2.23Å | |
| S4 | FE3 | sing | 2.21Å | 2.19Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FE1 | S1 | FE2 | 75.1° | 86.3° |
| S1 | FE1 | S2 | 103.4° | 87.7° |
| S1 | FE1 | S3 | 112.3° | 121.3° |
| S1 | FE1 | S4 | 112.0° | 121.3° |
| S1 | FE2 | S2 | 106.2° | 86.9° |
| FE1 | S2 | FE2 | 74.5° | 86.3° |
| S2 | FE1 | S3 | 112.7° | 121.3° |
| S2 | FE1 | S4 | 114.8° | 121.3° |
| FE1 | S3 | FE3 | 74.1° | 86.2° |
| S3 | FE1 | S4 | 102.0° | 87.7° |
| S3 | FE3 | S4 | 104.9° | 86.9° |
| FE1 | S4 | FE3 | 74.5° | 86.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S1 | FE1 | S2 | S3 | 121.5° | 125.8° |
| S1 | FE1 | S2 | S4 | 122.3° | 125.8° |
| FE1 | S1 | FE2 | S2 | 7.1° | 26.5° |
| S1 | FE1 | S3 | S4 | 120.1° | 125.8° |
| S1 | FE1 | S3 | FE3 | 136.0° | 99.1° |
| S1 | FE1 | S4 | FE3 | 136.2° | 99.1° |
| FE2 | S1 | FE1 | S3 | 128.6° | 99.0° |
| FE2 | S1 | FE1 | S4 | 117.3° | 152.5° |
| S2 | FE1 | S3 | S4 | 123.7° | 125.8° |
| S2 | FE1 | S3 | FE3 | 107.7° | 152.5° |
| S2 | FE1 | S4 | FE3 | 106.3° | 152.5° |
| FE2 | S2 | FE1 | S3 | 128.3° | 99.1° |
| FE2 | S2 | FE1 | S4 | 115.5° | 152.6° |
| FE1 | S3 | FE3 | S4 | 16.4° | 26.6° |
