FCO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FE | C1 | sing | 0.00Å | 1.87Å | |
| FE | C2 | sing | 0.00Å | 1.88Å | |
| FE | C3 | sing | 0.00Å | 1.89Å | |
| C1 | N1 | trip | 0.00Å | 1.18Å | |
| C2 | N2 | trip | 0.00Å | 1.18Å | |
| C3 | O3 | trip | 0.00Å | 1.19Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | FE | C2 | 91.2° | 90.0° |
| C1 | FE | C3 | 96.0° | 90.0° |
| FE | C1 | N1 | 171.9° | 90.0° |
| C2 | FE | C3 | 101.8° | 90.0° |
| FE | C2 | N2 | 173.1° | 90.0° |
| FE | C3 | O3 | 167.3° | 90.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | FE | C2 | C3 | 96.4° | 90.0° |
| C1 | FE | C2 | N2 | 83.8° | 90.0° |
| C1 | FE | C3 | O3 | 16.5° | 90.0° |
| C2 | FE | C1 | N1 | 1.1° | 90.0° |
| C2 | FE | C3 | O3 | 75.9° | 90.0° |
| C3 | FE | C1 | N1 | 103.1° | 90.0° |
| C3 | FE | C2 | N2 | 12.6° | 90.0° |
