P8S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F8C | C8 | sing | 1.40Å | 1.34Å | |
| F6B | C6 | sing | 1.40Å | 1.32Å | |
| F8A | C8 | sing | 1.40Å | 1.33Å | |
| F7A | C7 | sing | 1.40Å | 1.32Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | F8B | sing | 1.40Å | 1.31Å | |
| F5B | C5 | sing | 1.40Å | 1.32Å | |
| F5A | C5 | sing | 1.40Å | 1.32Å | |
| C7 | C6 | sing | 1.53Å | 1.50Å | |
| C7 | F7B | sing | 1.40Å | 1.32Å | |
| C6 | C5 | sing | 1.53Å | 1.51Å | |
| C6 | F6A | sing | 1.40Å | 1.33Å | |
| C5 | C4 | sing | 1.53Å | 1.50Å | |
| F3B | C3 | sing | 1.40Å | 1.33Å | |
| F2B | C2 | sing | 1.40Å | 1.32Å | |
| F1B | C1 | sing | 1.40Å | 1.32Å | |
| F1A | C1 | sing | 1.40Å | 1.32Å | |
| C4 | C3 | sing | 1.53Å | 1.48Å | |
| C4 | F4B | sing | 1.40Å | 1.31Å | |
| C4 | F4A | sing | 1.40Å | 1.31Å | |
| C3 | C2 | sing | 1.53Å | 1.50Å | |
| C3 | F3A | sing | 1.40Å | 1.33Å | |
| C2 | C1 | sing | 1.53Å | 1.49Å | |
| C2 | F2A | sing | 1.40Å | 1.32Å | |
| C1 | S1 | sing | 1.81Å | 1.66Å | |
| S1 | O3 | doub | 1.42Å | 1.49Å | |
| S1 | O2 | doub | 1.42Å | 1.46Å | |
| S1 | O1 | sing | 1.52Å | 1.49Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F8C | C8 | F8A | 112.4° | 109.4° |
| F8C | C8 | C7 | 112.1° | 109.5° |
| F8C | C8 | F8B | 111.6° | 109.5° |
| F6B | C6 | C7 | 110.2° | 109.4° |
| F6B | C6 | C5 | 109.5° | 109.5° |
| F6B | C6 | F6A | 109.3° | 109.4° |
| F8A | C8 | C7 | 108.4° | 109.5° |
| F8A | C8 | F8B | 105.5° | 109.4° |
| F7A | C7 | C8 | 112.6° | 109.5° |
| F7A | C7 | C6 | 109.5° | 109.5° |
| F7A | C7 | F7B | 111.5° | 109.4° |
| C7 | C8 | F8B | 106.6° | 109.5° |
| C8 | C7 | C6 | 107.2° | 109.5° |
| C8 | C7 | F7B | 107.8° | 109.4° |
| F5B | C5 | F5A | 104.8° | 109.4° |
| F5B | C5 | C6 | 112.2° | 109.5° |
| F5B | C5 | C4 | 111.1° | 109.5° |
| F5A | C5 | C6 | 114.2° | 109.5° |
| F5A | C5 | C4 | 110.4° | 109.4° |
| C6 | C7 | F7B | 108.0° | 109.5° |
| C7 | C6 | C5 | 108.3° | 109.5° |
| C7 | C6 | F6A | 108.8° | 109.5° |
| C5 | C6 | F6A | 110.6° | 109.5° |
| C6 | C5 | C4 | 104.3° | 109.5° |
| C5 | C4 | C3 | 106.9° | 109.5° |
| C5 | C4 | F4B | 111.3° | 109.5° |
| C5 | C4 | F4A | 110.1° | 109.5° |
| F3B | C3 | C4 | 103.9° | 109.5° |
| F3B | C3 | C2 | 112.6° | 109.5° |
| F3B | C3 | F3A | 115.7° | 109.4° |
| F2B | C2 | C3 | 110.2° | 109.4° |
| F2B | C2 | C1 | 112.3° | 109.5° |
| F2B | C2 | F2A | 112.2° | 109.4° |
| F1B | C1 | F1A | 107.6° | 109.4° |
| F1B | C1 | C2 | 108.1° | 109.5° |
| F1B | C1 | S1 | 111.0° | 109.5° |
| F1A | C1 | C2 | 111.4° | 109.4° |
| F1A | C1 | S1 | 113.1° | 109.5° |
| C3 | C4 | F4B | 106.6° | 109.4° |
| C3 | C4 | F4A | 110.8° | 109.5° |
| C4 | C3 | C2 | 108.2° | 109.5° |
| C4 | C3 | F3A | 110.5° | 109.5° |
| F4B | C4 | F4A | 111.1° | 109.4° |
| C2 | C3 | F3A | 105.7° | 109.4° |
| C3 | C2 | C1 | 105.5° | 109.5° |
| C3 | C2 | F2A | 106.9° | 109.5° |
| C1 | C2 | F2A | 109.4° | 109.5° |
| C2 | C1 | S1 | 105.5° | 109.5° |
| C1 | S1 | O3 | 106.0° | 110.5° |
| C1 | S1 | O2 | 111.8° | 110.6° |
| C1 | S1 | O1 | 109.4° | 104.5° |
| O3 | S1 | O2 | 109.3° | 121.0° |
| O3 | S1 | O1 | 111.5° | 104.2° |
| O2 | S1 | O1 | 108.8° | 104.3° |
| S1 | O1 | H1 | 109.5° | 114.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F8C | C8 | F8A | C7 | 124.4° | 120.0° |
| F8C | C8 | F8A | F8B | 121.8° | 120.0° |
| F8C | C8 | C7 | F7A | 4.7° | 180.0° |
| F8C | C8 | C7 | F8B | 122.3° | 120.1° |
| F8C | C8 | C7 | C6 | 125.2° | 59.9° |
| F8C | C8 | C7 | F7B | 118.7° | 60.0° |
| F6B | C6 | C7 | F7A | 79.5° | 60.0° |
| F6B | C6 | C7 | C8 | 43.0° | 60.0° |
| F6B | C6 | C5 | F5B | 24.5° | 60.0° |
| F6B | C6 | C5 | F5A | 94.6° | 180.0° |
| F6B | C6 | C7 | C5 | 119.8° | 120.0° |
| F6B | C6 | C7 | F6A | 119.9° | 119.9° |
| F6B | C6 | C7 | F7B | 158.8° | 180.0° |
| F6B | C6 | C5 | F6A | 120.6° | 120.0° |
| F6B | C6 | C5 | C4 | 144.8° | 60.0° |
| F8A | C8 | C7 | F7A | 119.8° | 60.0° |
| F8A | C8 | C7 | F8B | 113.1° | 120.0° |
| F8A | C8 | C7 | C6 | 0.7° | 60.0° |
| F8A | C8 | C7 | F7B | 116.7° | 180.0° |
| F7A | C7 | C8 | C6 | 120.5° | 120.1° |
| F7A | C7 | C8 | F7B | 123.5° | 119.9° |
| F7A | C7 | C8 | F8B | 127.1° | 59.9° |
| F7A | C7 | C6 | F7B | 121.7° | 120.0° |
| F7A | C7 | C6 | C5 | 40.3° | 59.9° |
| F7A | C7 | C6 | F6A | 160.6° | 180.0° |
| C8 | C7 | C6 | F7B | 115.9° | 120.0° |
| C8 | C7 | C6 | C5 | 162.7° | 180.0° |
| C8 | C7 | C6 | F6A | 76.9° | 59.9° |
| F8B | C8 | C7 | C6 | 112.4° | 180.0° |
| F8B | C8 | C7 | F7B | 3.6° | 60.0° |
| F5B | C5 | F5A | C6 | 123.2° | 120.0° |
| F5B | C5 | F5A | C4 | 119.7° | 120.0° |
| F5B | C5 | C6 | C7 | 144.7° | 59.9° |
| F5B | C5 | C6 | C4 | 120.4° | 120.1° |
| F5B | C5 | C6 | F6A | 96.1° | NaN° |
| F5B | C5 | C4 | C3 | 31.1° | 59.9° |
| F5B | C5 | C4 | F4B | 84.9° | 60.1° |
| F5B | C5 | C4 | F4A | 151.5° | 180.0° |
| F5A | C5 | C6 | C7 | 25.7° | 60.0° |
| F5A | C5 | C6 | C4 | 120.6° | 120.0° |
| F5A | C5 | C6 | F6A | 144.9° | 60.0° |
| F5A | C5 | C4 | C3 | 84.7° | 60.0° |
| F5A | C5 | C4 | F4B | 159.2° | 180.0° |
| F5A | C5 | C4 | F4A | 35.6° | 60.0° |
| C7 | C6 | C5 | F6A | 119.2° | 120.1° |
| C7 | C6 | C5 | C4 | 94.9° | 180.0° |
| F7B | C7 | C6 | C5 | 81.4° | 60.0° |
| F7B | C7 | C6 | F6A | 39.0° | 60.0° |
| C6 | C5 | C4 | C3 | 152.2° | 180.0° |
| C6 | C5 | C4 | F4B | 36.2° | 60.0° |
| C6 | C5 | C4 | F4A | 87.4° | 60.0° |
| F6A | C6 | C5 | C4 | 24.3° | 59.9° |
| C5 | C4 | C3 | F3B | 20.5° | 59.9° |
| C5 | C4 | C3 | F4B | 119.1° | 120.0° |
| C5 | C4 | C3 | F4A | 119.9° | 120.1° |
| C5 | C4 | F4B | F4A | 123.0° | 120.0° |
| C5 | C4 | C3 | C2 | 99.4° | 180.0° |
| C5 | C4 | C3 | F3A | 145.3° | 60.0° |
| F3B | C3 | C2 | F2B | 64.1° | 60.1° |
| F3B | C3 | C4 | C2 | 119.9° | 120.1° |
| F3B | C3 | C4 | F3A | 124.8° | 120.0° |
| F3B | C3 | C4 | F4B | 139.6° | 60.1° |
| F3B | C3 | C4 | F4A | 99.4° | 180.0° |
| F3B | C3 | C2 | F3A | 127.2° | 119.9° |
| F3B | C3 | C2 | C1 | 57.3° | 59.9° |
| F3B | C3 | C2 | F2A | 173.7° | 180.0° |
| F2B | C2 | C1 | F1B | 99.0° | 60.1° |
| F2B | C2 | C1 | F1A | 19.1° | 180.0° |
| F2B | C2 | C3 | C4 | 50.2° | 60.0° |
| F2B | C2 | C3 | C1 | 121.4° | 120.0° |
| F2B | C2 | C3 | F2A | 122.1° | 119.9° |
| F2B | C2 | C3 | F3A | 168.6° | 180.0° |
| F2B | C2 | C1 | F2A | 125.2° | 120.0° |
| F2B | C2 | C1 | S1 | 142.1° | 60.0° |
| F1B | C1 | F1A | C2 | 118.3° | 120.0° |
| F1B | C1 | F1A | S1 | 123.0° | 120.0° |
| F1B | C1 | C2 | C3 | 21.1° | 59.9° |
| F1B | C1 | C2 | S1 | 118.9° | 120.1° |
| F1B | C1 | C2 | F2A | 135.8° | 180.0° |
| F1B | C1 | S1 | O3 | 75.3° | 51.6° |
| F1B | C1 | S1 | O2 | 43.8° | 171.6° |
| F1B | C1 | S1 | O1 | 164.4° | 59.9° |
| F1A | C1 | C2 | C3 | 139.2° | 60.0° |
| F1A | C1 | C2 | S1 | 123.1° | 120.0° |
| F1A | C1 | C2 | F2A | 106.1° | 60.0° |
| F1A | C1 | S1 | O3 | 45.9° | 171.6° |
| F1A | C1 | S1 | O2 | 164.9° | 51.6° |
| F1A | C1 | S1 | O1 | 74.5° | 60.0° |
| C3 | C4 | F4B | F4A | 120.7° | 119.9° |
| C4 | C3 | C2 | F3A | 118.4° | 120.0° |
| C4 | C3 | C2 | C1 | 171.7° | 180.0° |
| C4 | C3 | C2 | F2A | 71.9° | 59.9° |
| F4B | C4 | C3 | C2 | 19.7° | 60.0° |
| F4B | C4 | C3 | F3A | 95.6° | 179.9° |
| F4A | C4 | C3 | C2 | 140.6° | 59.9° |
| F4A | C4 | C3 | F3A | 25.3° | 60.0° |
| C3 | C2 | C1 | F2A | 114.7° | 120.0° |
| C3 | C2 | C1 | S1 | 97.7° | 180.0° |
| F3A | C3 | C2 | C1 | 69.9° | 60.0° |
| F3A | C3 | C2 | F2A | 46.5° | 60.1° |
| C2 | C1 | S1 | O3 | 167.8° | 68.4° |
| C2 | C1 | S1 | O2 | 73.1° | 68.3° |
| C2 | C1 | S1 | O1 | 47.5° | 180.0° |
| F2A | C2 | C1 | S1 | 16.9° | 60.0° |
| C1 | S1 | O3 | O2 | 120.7° | 131.6° |
| C1 | S1 | O3 | O1 | 119.0° | 111.7° |
| C1 | S1 | O2 | O1 | 120.9° | 111.8° |
| C1 | S1 | O1 | H1 | 122.4° | 180.0° |
| O3 | S1 | O2 | O1 | 122.0° | 116.7° |
| O3 | S1 | O1 | H1 | 120.7° | 63.9° |
| O2 | S1 | O1 | H1 | 0.0° | 63.9° |
