OFO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FE1 | O | sing | 1.79Å | 1.83Å | |
| O | FE2 | sing | 1.79Å | 1.81Å | |
| FE2 | OH | sing | 1.79Å | 2.19Å | |
| OH | HO | sing | 0.97Å | 0.96Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| FE1 | O | FE2 | 126.0° | 106.8° |
| O | FE2 | OH | 84.5° | 179.9° |
| FE2 | OH | HO | 120.0° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| FE1 | O | FE2 | OH | 142.4° | 180.0° |
| O | FE2 | OH | HO | 59.2° | 0.0° |
