3IW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| FE | C3 | sing | 1.79Å | 1.80Å | |
| FE | C2 | sing | 1.78Å | 1.99Å | |
| FE | C1 | sing | 1.79Å | 2.03Å | |
| C3 | O3 | doub | 1.25Å | 1.11Å | |
| C3 | H3 | sing | 0.94Å | 1.08Å | |
| C2 | N2 | trip | 1.25Å | 1.13Å | |
| O1 | C1 | doub | 1.25Å | 1.12Å | |
| C1 | H1 | sing | 0.94Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | FE | C2 | 89.5° | 97.7° |
| C3 | FE | C1 | 95.3° | 98.7° |
| FE | C3 | O3 | 173.9° | 86.8° |
| FE | C3 | H3 | 93.1° | 94.3° |
| C2 | FE | C1 | 92.8° | 103.9° |
| FE | C2 | N2 | 169.8° | 179.9° |
| FE | C1 | O1 | 174.7° | 86.6° |
| FE | C1 | H1 | 92.7° | 94.6° |
| O3 | C3 | H3 | 93.1° | 178.9° |
| O1 | C1 | H1 | 92.6° | 178.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | FE | C2 | C1 | 95.3° | 101.0° |
| FE | C3 | O3 | H3 | 180.0° | 178.5° |
| C3 | FE | C2 | N2 | 5.0° | 72.5° |
| C3 | FE | C1 | O1 | 171.5° | 100.8° |
| C3 | FE | C1 | H1 | 8.4° | 79.1° |
| C2 | FE | C3 | O3 | 76.6° | 124.0° |
| C2 | FE | C3 | H3 | 103.4° | 56.0° |
| C2 | FE | C1 | O1 | 81.8° | 159.0° |
| C2 | FE | C1 | H1 | 98.2° | 21.1° |
| C1 | FE | C3 | O3 | 16.2° | 130.6° |
| C1 | FE | C3 | H3 | 163.8° | 49.4° |
| C1 | FE | C2 | N2 | 90.3° | 28.5° |
| FE | C1 | O1 | H1 | 180.0° | 176.2° |
