2T8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| IR | C | sing | 1.97Å | 2.03Å | |
| IR | CL2 | sing | 2.35Å | 2.38Å | |
| IR | CL4 | sing | 2.35Å | 2.32Å | |
| C | O | trip | 1.22Å | 1.13Å | |
| IR | CL3 | sing | 2.35Å | 2.54Å | |
| IR | CL1 | sing | 2.35Å | 2.55Å | |
| IR | O2 | sing | 2.01Å | 2.59Å | |
| H1 | O2 | sing | 0.86Å | 0.95Å | |
| H2 | O2 | sing | 0.86Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | IR | CL2 | 91.9° | 90.0° |
| C | IR | CL4 | 93.7° | 90.0° |
| IR | C | O | NaN° | 180.0° |
| C | IR | CL3 | 91.3° | 90.0° |
| C | IR | CL1 | 91.3° | 90.0° |
| C | IR | O2 | 180.0° | 180.0° |
| CL2 | IR | CL4 | 174.4° | NaN° |
| CL2 | IR | CL3 | 89.2° | 90.0° |
| CL2 | IR | CL1 | 90.8° | 90.0° |
| CL2 | IR | O2 | 88.1° | 90.0° |
| CL4 | IR | CL3 | 91.4° | 90.0° |
| CL4 | IR | CL1 | 88.4° | 90.0° |
| CL4 | IR | O2 | 86.3° | 90.0° |
| CL3 | IR | CL1 | 177.5° | 180.0° |
| CL3 | IR | O2 | 88.7° | 90.0° |
| CL1 | IR | O2 | 88.7° | 90.0° |
| IR | O2 | H1 | 120.0° | 109.5° |
| IR | O2 | H2 | 120.0° | 109.5° |
| H1 | O2 | H2 | 120.0° | 107.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | IR | CL2 | CL4 | 172.4° | 100.0° |
| C | IR | CL2 | CL3 | 91.3° | 90.0° |
| C | IR | CL2 | CL1 | 91.3° | 90.0° |
| C | IR | CL2 | O2 | NaN° | 180.0° |
| C | IR | CL4 | CL3 | 91.4° | 90.0° |
| C | IR | CL4 | CL1 | 91.2° | 90.0° |
| C | IR | CL4 | O2 | 180.0° | 180.0° |
| C | IR | CL3 | CL1 | 178.1° | 147.8° |
| C | IR | CL3 | O2 | 180.0° | 180.0° |
| C | IR | CL1 | O2 | 180.0° | 180.0° |
| C | IR | O2 | H1 | 90.0° | 139.1° |
| C | IR | O2 | H2 | 90.0° | 103.5° |
| CL2 | IR | CL4 | CL3 | 96.2° | 90.0° |
| CL2 | IR | CL4 | CL1 | 81.3° | 90.0° |
| CL2 | IR | CL4 | O2 | 7.6° | 90.0° |
| CL2 | IR | C | O | 90.0° | 24.5° |
| CL2 | IR | CL3 | CL1 | 90.1° | 122.2° |
| CL2 | IR | CL3 | O2 | 88.1° | 90.0° |
| CL2 | IR | CL1 | O2 | 88.1° | 90.0° |
| CL2 | IR | O2 | H1 | 90.8° | 8.4° |
| CL2 | IR | O2 | H2 | 89.2° | 125.8° |
| CL4 | IR | C | O | 90.0° | 155.5° |
| CL4 | IR | CL3 | CL1 | 84.4° | 57.8° |
| CL4 | IR | CL3 | O2 | 86.3° | 90.0° |
| CL4 | IR | CL1 | O2 | 86.4° | 90.0° |
| CL4 | IR | O2 | H1 | 88.4° | 171.6° |
| CL4 | IR | O2 | H2 | 91.6° | 54.2° |
| O | C | IR | CL3 | 90.0° | 114.5° |
| O | C | IR | CL1 | 90.0° | 65.5° |
| O | C | IR | O2 | 90.0° | 155.2° |
| CL3 | IR | CL1 | O2 | 1.9° | 32.2° |
| CL3 | IR | O2 | H1 | 179.9° | 98.4° |
| CL3 | IR | O2 | H2 | 0.1° | 144.1° |
| CL1 | IR | O2 | H1 | 0.0° | 81.6° |
| CL1 | IR | O2 | H2 | 180.0° | 35.8° |
| IR | O2 | H1 | H2 | 180.0° | 118.7° |






