T6C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL2 | C2 | sing | 1.74Å | 1.71Å | |
| CL4 | C4 | sing | 1.74Å | 1.74Å | |
| C3 | C2 | doub | 1.38Å | 1.36Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.36Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.36Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.36Å | Aromatic |
| C1 | O1 | sing | 1.36Å | 1.45Å | |
| C1 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | CL6 | sing | 1.74Å | 1.70Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL2 | C2 | C3 | 122.0° | 120.0° |
| CL2 | C2 | C1 | 117.4° | 120.0° |
| CL4 | C4 | C3 | 114.9° | 120.0° |
| CL4 | C4 | C5 | 124.6° | 120.0° |
| C2 | C3 | C4 | 121.7° | 120.0° |
| C3 | C2 | C1 | 120.6° | 120.0° |
| C2 | C3 | H2 | 119.1° | 120.0° |
| C3 | C4 | C5 | 120.6° | 120.1° |
| C4 | C3 | H2 | 119.2° | 120.0° |
| C2 | C1 | O1 | 117.1° | 120.1° |
| C2 | C1 | C6 | 116.4° | 119.9° |
| C4 | C5 | C6 | 116.5° | 120.0° |
| C4 | C5 | H3 | 121.7° | 120.0° |
| O1 | C1 | C6 | 126.5° | 120.1° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| C1 | C6 | C5 | 124.1° | 120.0° |
| C1 | C6 | CL6 | 118.1° | 120.0° |
| C5 | C6 | CL6 | 117.1° | 120.0° |
| C6 | C5 | H3 | 121.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL2 | C2 | C3 | C1 | 179.8° | 179.8° |
| CL2 | C2 | C3 | C4 | 177.9° | 180.0° |
| CL2 | C2 | C1 | O1 | 1.7° | 0.0° |
| CL2 | C2 | C1 | C6 | 176.7° | 180.0° |
| CL2 | C2 | C3 | H2 | 2.2° | 0.1° |
| CL4 | C4 | C3 | C2 | 177.5° | 180.0° |
| CL4 | C4 | C3 | C5 | 179.0° | 180.0° |
| CL4 | C4 | C5 | C6 | 175.5° | 179.8° |
| CL4 | C4 | C3 | H2 | 2.5° | 0.1° |
| CL4 | C4 | C5 | H3 | 4.5° | 0.0° |
| C2 | C3 | C4 | H2 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.5° | 0.0° |
| C3 | C2 | C1 | O1 | 178.5° | 179.8° |
| C3 | C2 | C1 | C6 | 3.2° | 0.2° |
| C4 | C3 | C2 | C1 | 2.0° | 0.2° |
| C3 | C4 | C5 | C6 | 3.4° | 0.2° |
| C3 | C4 | C5 | H3 | 176.7° | 180.0° |
| C2 | C1 | O1 | C6 | 178.2° | 180.0° |
| C2 | C1 | C6 | C5 | 1.1° | 0.0° |
| C2 | C1 | C6 | CL6 | 171.4° | 180.0° |
| C2 | C1 | O1 | H1 | 180.0° | 90.0° |
| C1 | C2 | C3 | H2 | 178.0° | 179.7° |
| C4 | C5 | C6 | C1 | 2.1° | 0.2° |
| C4 | C5 | C6 | H3 | 180.0° | 179.7° |
| C4 | C5 | C6 | CL6 | 168.3° | 179.8° |
| C5 | C4 | C3 | H2 | 178.5° | 179.9° |
| O1 | C1 | C6 | C5 | 179.3° | 180.0° |
| O1 | C1 | C6 | CL6 | 10.4° | 0.0° |
| C1 | C6 | C5 | CL6 | 170.4° | 180.0° |
| C6 | C1 | O1 | H1 | 1.8° | 90.0° |
| C1 | C6 | C5 | H3 | 177.9° | 180.0° |
| CL6 | C6 | C5 | H3 | 11.7° | 0.0° |
