WC6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F | C4 | sing | 1.35Å | 1.31Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.38Å | Aromatic |
| C7 | N | sing | 1.46Å | 1.47Å | |
| C7 | C6 | sing | 1.51Å | 1.53Å | |
| C | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.38Å | Aromatic |
| C2 | C6 | sing | 1.47Å | 1.47Å | |
| N | N2 | sing | 1.40Å | 1.37Å | Aromatic |
| N | C8 | sing | 1.35Å | 1.40Å | Aromatic |
| C6 | O | doub | 1.21Å | 1.21Å | |
| N2 | C9 | doub | 1.31Å | 1.36Å | Aromatic |
| C8 | N1 | doub | 1.31Å | 1.34Å | Aromatic |
| C9 | N1 | sing | 1.33Å | 1.41Å | Aromatic |
| C7 | H1 | sing | 1.09Å | 1.10Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.08Å | 1.08Å | |
| C5 | H6 | sing | 1.08Å | 1.08Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| C | H8 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F | C4 | C5 | 118.9° | 119.9° |
| F | C4 | C3 | 119.2° | 119.9° |
| C5 | C4 | C3 | 121.9° | 120.1° |
| C4 | C5 | C | 118.6° | 120.3° |
| C4 | C5 | H6 | 120.7° | 119.9° |
| C4 | C3 | C2 | 117.8° | 119.8° |
| C4 | C3 | H7 | 121.1° | 120.1° |
| C5 | C | C1 | 120.7° | 120.2° |
| C | C5 | H6 | 120.7° | 119.8° |
| C5 | C | H8 | 119.7° | 119.9° |
| C3 | C2 | C1 | 121.5° | 119.7° |
| C3 | C2 | C6 | 118.6° | 120.2° |
| C2 | C3 | H7 | 121.1° | 120.1° |
| N | C7 | C6 | 108.1° | 109.5° |
| C7 | N | N2 | 121.8° | 126.8° |
| C7 | N | C8 | 127.6° | 126.8° |
| N | C7 | H1 | 109.8° | 109.4° |
| N | C7 | H2 | 109.8° | 109.5° |
| C7 | C6 | C2 | 117.2° | 120.0° |
| C7 | C6 | O | 121.1° | 120.0° |
| C6 | C7 | H1 | 109.8° | 109.4° |
| C6 | C7 | H2 | 109.8° | 109.5° |
| C | C1 | C2 | 119.5° | 119.8° |
| C | C1 | H5 | 120.2° | 120.1° |
| C1 | C | H8 | 119.7° | 119.9° |
| C1 | C2 | C6 | 119.9° | 120.1° |
| C2 | C1 | H5 | 120.2° | 120.1° |
| C2 | C6 | O | 121.6° | 120.0° |
| N2 | N | C8 | 110.6° | 106.3° |
| N | N2 | C9 | 103.4° | 106.8° |
| N | C8 | N1 | 108.3° | 108.1° |
| N | C8 | H3 | 125.9° | 125.9° |
| N2 | C9 | N1 | 113.2° | 108.9° |
| N2 | C9 | H4 | 123.4° | 125.6° |
| C8 | N1 | C9 | 104.5° | 109.9° |
| N1 | C8 | H3 | 125.8° | 126.0° |
| N1 | C9 | H4 | 123.4° | 125.5° |
| H1 | C7 | H2 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F | C4 | C5 | C3 | 179.9° | 179.8° |
| F | C4 | C5 | C | 179.9° | 180.0° |
| F | C4 | C3 | C2 | 179.7° | 180.0° |
| F | C4 | C5 | H6 | 0.1° | 0.1° |
| F | C4 | C3 | H7 | 0.3° | 0.2° |
| C4 | C5 | C | H6 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.1° | 0.2° |
| C4 | C5 | C | C1 | 0.2° | 0.1° |
| C5 | C4 | C3 | H7 | 179.8° | 180.0° |
| C4 | C5 | C | H8 | 179.9° | 180.0° |
| C3 | C4 | C5 | C | 0.2° | 0.2° |
| C4 | C3 | C2 | H7 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.5° | 0.1° |
| C4 | C3 | C2 | C6 | 178.0° | 179.9° |
| C3 | C4 | C5 | H6 | 179.8° | 179.7° |
| C5 | C | C1 | H8 | 180.0° | 179.9° |
| C5 | C | C1 | C2 | 0.2° | 0.3° |
| C5 | C | C1 | H5 | 179.7° | 179.9° |
| C3 | C2 | C6 | C7 | 27.2° | 180.0° |
| C3 | C2 | C1 | C | 0.6° | 0.3° |
| C3 | C2 | C1 | C6 | 178.6° | 180.0° |
| C3 | C2 | C6 | O | 152.4° | 0.0° |
| C3 | C2 | C1 | H5 | 179.4° | 179.9° |
| N | C7 | C6 | H1 | 119.8° | 120.0° |
| N | C7 | C6 | H2 | 119.8° | 120.1° |
| N | C7 | C6 | C2 | 175.2° | 180.0° |
| C7 | N | N2 | C8 | 179.1° | 179.9° |
| N | C7 | C6 | O | 4.4° | 0.0° |
| C7 | N | N2 | C9 | 178.9° | 179.9° |
| C7 | N | C8 | N1 | 178.8° | 179.9° |
| N | C7 | H1 | H2 | 120.6° | 120.1° |
| C7 | N | C8 | H3 | 1.3° | 0.1° |
| C7 | C6 | C2 | C1 | 154.2° | 0.0° |
| C7 | C6 | C2 | O | 179.6° | 180.0° |
| C6 | C7 | N | N2 | 129.1° | 55.1° |
| C6 | C7 | N | C8 | 49.8° | 125.0° |
| C6 | C7 | H1 | H2 | 120.6° | 120.0° |
| C | C1 | C2 | H5 | 180.0° | 179.6° |
| C | C1 | C2 | C6 | 178.0° | 179.7° |
| C1 | C | C5 | H6 | 179.8° | 180.0° |
| C1 | C2 | C6 | O | 26.2° | 180.0° |
| C1 | C2 | C3 | H7 | 179.4° | 179.8° |
| C2 | C1 | C | H8 | 179.7° | 179.8° |
| C2 | C6 | C7 | H1 | 65.0° | 60.0° |
| C2 | C6 | C7 | H2 | 55.4° | 59.9° |
| C6 | C2 | C1 | H5 | 2.1° | 0.1° |
| C6 | C2 | C3 | H7 | 2.0° | 0.2° |
| N2 | N | C8 | N1 | 0.3° | 0.0° |
| N | N2 | C9 | N1 | 0.1° | 0.0° |
| N2 | N | C7 | H1 | 111.1° | 175.1° |
| N2 | N | C7 | H2 | 9.3° | 64.9° |
| N2 | N | C8 | H3 | 179.7° | 179.9° |
| N | N2 | C9 | H4 | 179.9° | 180.0° |
| C8 | N | N2 | C9 | 0.2° | 0.0° |
| N | C8 | N1 | H3 | 180.0° | 180.0° |
| N | C8 | N1 | C9 | 0.2° | 0.0° |
| C8 | N | C7 | H1 | 70.0° | 5.1° |
| C8 | N | C7 | H2 | 169.6° | 114.9° |
| O | C6 | C7 | H1 | 115.4° | 120.0° |
| O | C6 | C7 | H2 | 124.2° | 120.0° |
| N2 | C9 | N1 | C8 | 0.1° | 0.0° |
| N2 | C9 | N1 | H4 | 180.0° | 180.0° |
| C8 | N1 | C9 | H4 | 179.9° | 180.0° |
| C9 | N1 | C8 | H3 | 179.8° | 180.0° |
| H5 | C1 | C | H8 | 0.3° | 0.1° |
| H6 | C5 | C | H8 | 0.2° | 0.1° |
