F6F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.39Å | 1.44Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | O7 | sing | 1.36Å | 1.38Å | |
| C2 | C3 | doub | 1.38Å | 1.44Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.40Å | 1.57Å | Aromatic |
| C4 | C12 | sing | 1.48Å | 1.50Å | |
| C5 | C6 | sing | 1.38Å | 1.43Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| O7 | C8 | sing | 1.43Å | 1.50Å | |
| C8 | F9 | sing | 1.40Å | 1.24Å | |
| C8 | F10 | sing | 1.40Å | 1.23Å | |
| C8 | F11 | sing | 1.40Å | 1.36Å | |
| C12 | N13 | sing | 1.35Å | 1.37Å | |
| C12 | O14 | doub | 1.22Å | 1.18Å | |
| N13 | C15 | sing | 1.47Å | 1.47Å | |
| N13 | H13 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.53Å | 1.44Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | O17 | sing | 1.43Å | 1.48Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| O17 | P18 | sing | 1.61Å | 1.50Å | |
| P18 | O19 | sing | 1.61Å | 1.51Å | |
| P18 | O20 | doub | 1.48Å | 1.57Å | |
| P18 | O21 | sing | 1.61Å | 1.43Å | |
| O19 | H19 | sing | 0.97Å | 0.95Å | |
| O21 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.4° | 120.2° |
| C2 | C1 | O7 | 125.3° | 119.9° |
| C1 | C2 | C3 | 122.2° | 120.0° |
| C1 | C2 | H2 | 118.9° | 120.0° |
| C6 | C1 | O7 | 114.3° | 119.9° |
| C1 | C6 | C5 | 121.4° | 120.1° |
| C1 | C6 | H6 | 119.3° | 120.0° |
| C1 | O7 | C8 | 115.2° | 106.8° |
| C3 | C2 | H2 | 118.9° | 120.0° |
| C2 | C3 | C4 | 119.2° | 119.9° |
| C2 | C3 | H3 | 120.4° | 120.0° |
| C4 | C3 | H3 | 120.4° | 120.1° |
| C3 | C4 | C5 | 119.8° | 119.8° |
| C3 | C4 | C12 | 118.8° | 120.1° |
| C5 | C4 | C12 | 121.4° | 120.1° |
| C4 | C5 | C6 | 117.0° | 119.9° |
| C4 | C5 | H5 | 121.5° | 120.0° |
| C4 | C12 | N13 | 113.2° | 120.0° |
| C4 | C12 | O14 | 122.6° | 120.0° |
| C6 | C5 | H5 | 121.5° | 120.1° |
| C5 | C6 | H6 | 119.3° | 119.9° |
| O7 | C8 | F9 | 118.0° | 109.5° |
| O7 | C8 | F10 | 95.8° | 109.4° |
| O7 | C8 | F11 | 109.8° | 109.5° |
| F9 | C8 | F10 | 120.4° | 109.5° |
| F9 | C8 | F11 | 103.1° | 109.4° |
| F10 | C8 | F11 | 109.6° | 109.5° |
| N13 | C12 | O14 | 124.0° | 120.0° |
| C12 | N13 | C15 | 120.1° | 120.0° |
| C12 | N13 | H13 | 120.0° | 120.0° |
| C15 | N13 | H13 | 120.0° | 119.9° |
| N13 | C15 | C16 | 110.3° | 109.5° |
| N13 | C15 | H151 | 109.1° | 109.4° |
| N13 | C15 | H152 | 109.2° | 109.5° |
| C16 | C15 | H151 | 109.0° | 109.5° |
| C16 | C15 | H152 | 109.2° | 109.5° |
| C15 | C16 | O17 | 109.7° | 109.5° |
| C15 | C16 | H161 | 109.3° | 109.5° |
| C15 | C16 | H162 | 109.4° | 109.5° |
| H151 | C15 | H152 | 110.1° | 109.4° |
| O17 | C16 | H161 | 109.3° | 109.4° |
| O17 | C16 | H162 | 109.4° | 109.5° |
| C16 | O17 | P18 | 122.2° | 106.8° |
| H161 | C16 | H162 | 109.7° | 109.5° |
| O17 | P18 | O19 | 108.0° | 109.4° |
| O17 | P18 | O20 | 104.4° | 109.5° |
| O17 | P18 | O21 | 119.1° | 109.5° |
| O19 | P18 | O20 | 109.5° | 109.5° |
| O19 | P18 | O21 | 107.0° | 109.5° |
| P18 | O19 | H19 | 109.5° | 106.8° |
| O20 | P18 | O21 | 108.6° | 109.5° |
| P18 | O21 | H21 | 109.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O7 | 179.8° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 0.2° | 0.5° |
| C1 | C2 | C3 | H3 | 179.8° | 179.9° |
| C2 | C1 | C6 | C5 | 0.3° | 0.0° |
| C2 | C1 | C6 | H6 | 179.7° | 179.9° |
| C2 | C1 | O7 | C8 | 42.6° | 0.1° |
| C6 | C1 | C2 | C3 | 0.3° | 0.3° |
| C6 | C1 | C2 | H2 | 179.7° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | H5 | 179.8° | 180.0° |
| C6 | C1 | O7 | C8 | 137.6° | 180.0° |
| O7 | C1 | C2 | C3 | 179.9° | 179.8° |
| O7 | C1 | C2 | H2 | 0.1° | 0.1° |
| O7 | C1 | C6 | C5 | 179.9° | 179.9° |
| O7 | C1 | C6 | H6 | 0.1° | 0.0° |
| C1 | O7 | C8 | F9 | 37.8° | 60.0° |
| C1 | O7 | C8 | F10 | 91.2° | 180.0° |
| C1 | O7 | C8 | F11 | 155.5° | 59.9° |
| C2 | C3 | C4 | H3 | 180.0° | 179.6° |
| C2 | C3 | C4 | C5 | 0.1° | 0.5° |
| C2 | C3 | C4 | C12 | 179.4° | 179.8° |
| H2 | C2 | C3 | C4 | 179.8° | 179.8° |
| H2 | C2 | C3 | H3 | 0.2° | 0.2° |
| C3 | C4 | C5 | C12 | 179.3° | 179.7° |
| C3 | C4 | C5 | C6 | 0.1° | 0.3° |
| C3 | C4 | C5 | H5 | 179.9° | 179.8° |
| C3 | C4 | C12 | N13 | 161.6° | 0.3° |
| C3 | C4 | C12 | O14 | 14.5° | 179.8° |
| H3 | C3 | C4 | C5 | 179.9° | 179.9° |
| H3 | C3 | C4 | C12 | 0.6° | 0.2° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.8° | 179.9° |
| C5 | C4 | C12 | N13 | 17.7° | 180.0° |
| C5 | C4 | C12 | O14 | 166.3° | 0.1° |
| C12 | C4 | C5 | C6 | 179.4° | 180.0° |
| C12 | C4 | C5 | H5 | 0.6° | 0.0° |
| C4 | C12 | N13 | O14 | 176.0° | 180.0° |
| C4 | C12 | N13 | C15 | 167.1° | 180.0° |
| C4 | C12 | N13 | H13 | 12.9° | 0.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.1° |
| O7 | C8 | F9 | F10 | 116.4° | 120.0° |
| O7 | C8 | F9 | F11 | 121.2° | 120.0° |
| O7 | C8 | F10 | F11 | 113.5° | 120.0° |
| F9 | C8 | F10 | F11 | 119.2° | 120.0° |
| C12 | N13 | C15 | H13 | 180.0° | 180.0° |
| C12 | N13 | C15 | C16 | 76.8° | 180.0° |
| C12 | N13 | C15 | H151 | 163.5° | 60.0° |
| C12 | N13 | C15 | H152 | 43.2° | 60.0° |
| O14 | C12 | N13 | C15 | 8.8° | 0.0° |
| O14 | C12 | N13 | H13 | 171.2° | 180.0° |
| N13 | C15 | C16 | H151 | 119.7° | 120.0° |
| N13 | C15 | C16 | H152 | 120.0° | 120.0° |
| N13 | C15 | H151 | H152 | 119.8° | 119.9° |
| N13 | C15 | C16 | O17 | 74.6° | 65.0° |
| N13 | C15 | C16 | H161 | 165.6° | 55.0° |
| N13 | C15 | C16 | H162 | 45.4° | 175.0° |
| H13 | N13 | C15 | C16 | 103.2° | 0.0° |
| H13 | N13 | C15 | H151 | 16.5° | 120.1° |
| H13 | N13 | C15 | H152 | 136.8° | 120.0° |
| C16 | C15 | H151 | H152 | 119.8° | 120.0° |
| C15 | C16 | O17 | H161 | 119.9° | 120.0° |
| C15 | C16 | O17 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H162 | 120.0° | 120.0° |
| C15 | C16 | O17 | P18 | 83.5° | 180.0° |
| H151 | C15 | C16 | O17 | 45.1° | 175.0° |
| H151 | C15 | C16 | H161 | 74.7° | 65.0° |
| H151 | C15 | C16 | H162 | 165.1° | 55.0° |
| H152 | C15 | C16 | O17 | 165.4° | 55.1° |
| H152 | C15 | C16 | H161 | 45.6° | 175.0° |
| H152 | C15 | C16 | H162 | 74.6° | 65.0° |
| O17 | C16 | H161 | H162 | 119.9° | 120.0° |
| C16 | O17 | P18 | O19 | 162.2° | 175.0° |
| C16 | O17 | P18 | O20 | 81.3° | 55.0° |
| C16 | O17 | P18 | O21 | 40.0° | 65.0° |
| H161 | C16 | O17 | P18 | 36.4° | 60.0° |
| H162 | C16 | O17 | P18 | 156.5° | 60.0° |
| O17 | P18 | O19 | O20 | 113.1° | 120.0° |
| O17 | P18 | O19 | O21 | 129.4° | 120.0° |
| O17 | P18 | O20 | O21 | 128.0° | 120.0° |
| O17 | P18 | O19 | H19 | 179.3° | 180.0° |
| O17 | P18 | O21 | H21 | 42.7° | 60.0° |
| O19 | P18 | O20 | O21 | 116.6° | 120.0° |
| O19 | P18 | O21 | H21 | 165.4° | 60.0° |
| O20 | P18 | O19 | H19 | 67.7° | 60.0° |
| O20 | P18 | O21 | H21 | 76.5° | 180.0° |
| O21 | P18 | O19 | H19 | 49.9° | 60.0° |
