CFO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | FE2 | sing | 2.15Å | 2.38Å | |
| FE2 | O | sing | 1.79Å | 1.80Å | |
| O | FE1 | sing | 1.79Å | 1.81Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | FE2 | O | 92.2° | 179.9° |
| FE2 | O | FE1 | 127.7° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | FE2 | O | FE1 | 127.0° | 180.0° |
