PF4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | C9 | sing | 1.47Å | 1.45Å | Aromatic |
| C9 | N6 | sing | 1.37Å | 1.31Å | Aromatic |
| C9 | N4 | doub | 1.32Å | 1.35Å | Aromatic |
| C8 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | O24 | sing | 1.36Å | 1.38Å | |
| C20 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | C18 | sing | 1.38Å | 1.47Å | Aromatic |
| C18 | C14 | doub | 1.36Å | 1.34Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C11 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C26 | O24 | sing | 1.43Å | 1.42Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C10 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C10 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | C5 | sing | 1.47Å | 1.47Å | Aromatic |
| N6 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.35Å | Aromatic |
| S19 | C14 | sing | 1.76Å | 1.74Å | Aromatic |
| C23 | S19 | sing | 1.76Å | 1.75Å | Aromatic |
| C22 | C23 | doub | 1.34Å | 1.33Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| N4 | C1 | sing | 1.34Å | 1.36Å | Aromatic |
| C1 | C3 | sing | 1.48Å | 1.48Å | Aromatic |
| C12 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | O21 | sing | 1.36Å | 1.37Å | |
| O21 | C25 | sing | 1.43Å | 1.44Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C7 | C12 | 120.6° | 119.9° |
| C3 | C7 | H7 | 119.7° | 120.1° |
| C7 | C3 | C8 | 120.1° | 119.9° |
| C7 | C3 | C1 | 121.5° | 120.0° |
| C12 | C7 | H7 | 119.7° | 120.0° |
| C7 | C12 | C17 | 119.6° | 120.1° |
| C7 | C12 | H12 | 120.2° | 119.9° |
| C14 | C9 | N6 | 126.0° | 125.5° |
| C14 | C9 | N4 | 123.8° | 125.4° |
| C9 | C14 | C18 | 130.1° | 125.4° |
| C9 | C14 | S19 | 122.1° | 125.4° |
| N6 | C9 | N4 | 110.1° | 109.1° |
| C9 | N6 | C2 | 107.1° | 107.1° |
| C9 | N6 | HN6 | 126.5° | 126.5° |
| C9 | N4 | C1 | 107.7° | 109.6° |
| C8 | C13 | C17 | 120.1° | 120.0° |
| C8 | C13 | H13 | 119.9° | 120.0° |
| C13 | C8 | C3 | 120.2° | 119.9° |
| C13 | C8 | H8 | 119.9° | 120.0° |
| C17 | C13 | H13 | 120.0° | 120.0° |
| C13 | C17 | C12 | 119.4° | 120.2° |
| C13 | C17 | O21 | 122.7° | 119.9° |
| C15 | C20 | O24 | 124.3° | 119.9° |
| C15 | C20 | C16 | 120.4° | 120.3° |
| C20 | C15 | C10 | 119.5° | 120.1° |
| C20 | C15 | H15 | 120.3° | 120.0° |
| O24 | C20 | C16 | 115.3° | 119.8° |
| C20 | O24 | C26 | 121.4° | 117.0° |
| C20 | C16 | C11 | 120.2° | 120.1° |
| C20 | C16 | H16 | 119.9° | 120.0° |
| C3 | C8 | H8 | 119.9° | 120.1° |
| C8 | C3 | C1 | 118.3° | 120.1° |
| C22 | C18 | C14 | 113.8° | 114.4° |
| C22 | C18 | H18 | 123.1° | 122.8° |
| C18 | C22 | C23 | 115.9° | 115.2° |
| C18 | C22 | H22 | 122.1° | 122.4° |
| C14 | C18 | H18 | 123.1° | 122.7° |
| C18 | C14 | S19 | 107.7° | 109.3° |
| C11 | C16 | H16 | 119.9° | 119.9° |
| C16 | C11 | C5 | 119.5° | 119.9° |
| C16 | C11 | H11 | 120.2° | 120.0° |
| O24 | C26 | H26 | 109.5° | 109.4° |
| O24 | C26 | H26A | 109.5° | 109.5° |
| O24 | C26 | H26B | 109.5° | 109.5° |
| H26 | C26 | H26A | 109.5° | 109.5° |
| H26 | C26 | H26B | 109.4° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
| C10 | C15 | H15 | 120.2° | 120.0° |
| C15 | C10 | C5 | 118.4° | 119.9° |
| C15 | C10 | H10 | 120.8° | 120.0° |
| C5 | C10 | H10 | 120.8° | 120.1° |
| C10 | C5 | C11 | 121.9° | 119.8° |
| C10 | C5 | C2 | 119.4° | 120.1° |
| C5 | C11 | H11 | 120.3° | 120.1° |
| C11 | C5 | C2 | 118.7° | 120.1° |
| C5 | C2 | N6 | 120.3° | 126.8° |
| C5 | C2 | C1 | 131.9° | 126.8° |
| N6 | C2 | C1 | 107.8° | 106.4° |
| C2 | N6 | HN6 | 126.4° | 126.4° |
| C2 | C1 | N4 | 107.3° | 107.8° |
| C2 | C1 | C3 | 132.8° | 126.1° |
| C14 | S19 | C23 | 96.1° | 91.1° |
| S19 | C23 | C22 | 106.5° | 110.0° |
| S19 | C23 | H23 | 126.7° | 125.0° |
| C22 | C23 | H23 | 126.7° | 125.0° |
| C23 | C22 | H22 | 122.1° | 122.4° |
| N4 | C1 | C3 | 119.7° | 126.1° |
| C17 | C12 | H12 | 120.2° | 120.0° |
| C12 | C17 | O21 | 117.9° | 119.9° |
| C17 | O21 | C25 | 121.6° | 117.0° |
| O21 | C25 | H25 | 109.5° | 109.4° |
| O21 | C25 | H25A | 109.5° | 109.5° |
| O21 | C25 | H25B | 109.5° | 109.5° |
| H25 | C25 | H25A | 109.5° | 109.4° |
| H25 | C25 | H25B | 109.5° | 109.5° |
| H25A | C25 | H25B | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C7 | C12 | H7 | 180.0° | 179.7° |
| C7 | C3 | C8 | C13 | 2.0° | 0.5° |
| C7 | C3 | C8 | C1 | 175.2° | 180.0° |
| C7 | C3 | C8 | H8 | 178.0° | 179.7° |
| C7 | C3 | C1 | C2 | 140.8° | 145.0° |
| C7 | C3 | C1 | N4 | 44.4° | 35.0° |
| C3 | C7 | C12 | C17 | 0.8° | 0.2° |
| C3 | C7 | C12 | H12 | 179.1° | 179.7° |
| C7 | C12 | C17 | C13 | 1.0° | 0.0° |
| C12 | C7 | C3 | C8 | 2.3° | 0.0° |
| C12 | C7 | C3 | C1 | 177.4° | 179.9° |
| C7 | C12 | C17 | H12 | 180.0° | 179.9° |
| C7 | C12 | C17 | O21 | 179.6° | 179.5° |
| H7 | C7 | C3 | C8 | 177.7° | 179.7° |
| H7 | C7 | C3 | C1 | 2.6° | 0.3° |
| H7 | C7 | C12 | C17 | 179.2° | 179.9° |
| H7 | C7 | C12 | H12 | 0.9° | 0.0° |
| C14 | C9 | N6 | N4 | 177.6° | 179.7° |
| C9 | C14 | C18 | C22 | 178.6° | 179.8° |
| C9 | C14 | C18 | S19 | 177.4° | 180.0° |
| C9 | C14 | C18 | H18 | 1.4° | 0.0° |
| C14 | C9 | N6 | C2 | 178.9° | 179.7° |
| C9 | C14 | S19 | C23 | 178.5° | 180.0° |
| C14 | C9 | N4 | C1 | 177.6° | 179.7° |
| C14 | C9 | N6 | HN6 | 1.1° | 0.3° |
| N6 | C9 | C14 | C18 | 3.3° | 179.9° |
| C9 | N6 | C2 | C5 | 179.6° | 180.0° |
| C9 | N6 | C2 | HN6 | 180.0° | 179.9° |
| C9 | N6 | C2 | C1 | 2.1° | 0.1° |
| N6 | C9 | C14 | S19 | 173.7° | 0.1° |
| N6 | C9 | N4 | C1 | 0.1° | 0.0° |
| N4 | C9 | C14 | C18 | 179.4° | 0.3° |
| N4 | C9 | N6 | C2 | 1.2° | 0.1° |
| C9 | N4 | C1 | C2 | 1.4° | 0.0° |
| N4 | C9 | C14 | S19 | 3.6° | 179.7° |
| C9 | N4 | C1 | C3 | 177.4° | 180.0° |
| N4 | C9 | N6 | HN6 | 178.7° | 180.0° |
| C8 | C13 | C17 | H13 | 180.0° | 179.5° |
| C13 | C8 | C3 | H8 | 180.0° | 179.2° |
| C13 | C8 | C3 | C1 | 177.2° | 179.5° |
| C8 | C13 | C17 | C12 | 1.3° | 0.5° |
| C8 | C13 | C17 | O21 | 179.8° | 180.0° |
| C17 | C13 | C8 | C3 | 0.2° | 0.8° |
| C17 | C13 | C8 | H8 | 179.8° | 180.0° |
| C13 | C17 | C12 | O21 | 178.6° | 179.5° |
| C13 | C17 | C12 | H12 | 179.1° | 179.9° |
| C13 | C17 | O21 | C25 | 0.6° | 180.0° |
| H13 | C13 | C8 | C3 | 179.8° | 179.7° |
| H13 | C13 | C8 | H8 | 0.2° | 0.5° |
| H13 | C13 | C17 | C12 | 178.7° | 180.0° |
| H13 | C13 | C17 | O21 | 0.2° | 0.4° |
| C15 | C20 | O24 | C16 | 179.6° | 179.7° |
| C15 | C20 | C16 | C11 | 0.3° | 0.3° |
| C15 | C20 | C16 | H16 | 179.7° | 179.7° |
| C15 | C20 | O24 | C26 | 12.0° | 0.3° |
| C20 | C15 | C10 | H15 | 180.0° | 179.9° |
| C20 | C15 | C10 | C5 | 1.1° | 0.0° |
| C20 | C15 | C10 | H10 | 178.9° | 180.0° |
| O24 | C20 | C16 | C11 | 179.3° | 180.0° |
| O24 | C20 | C16 | H16 | 0.7° | 0.0° |
| C20 | O24 | C26 | H26 | 153.7° | 180.0° |
| C20 | O24 | C26 | H26A | 86.3° | 60.0° |
| C20 | O24 | C26 | H26B | 33.8° | 60.0° |
| O24 | C20 | C15 | C10 | 179.8° | 180.0° |
| O24 | C20 | C15 | H15 | 0.2° | 0.0° |
| C20 | C16 | C11 | H16 | 180.0° | 180.0° |
| C16 | C20 | O24 | C26 | 168.4° | 180.0° |
| C16 | C20 | C15 | C10 | 0.2° | 0.3° |
| C16 | C20 | C15 | H15 | 179.8° | 179.8° |
| C20 | C16 | C11 | C5 | 0.0° | 0.0° |
| C20 | C16 | C11 | H11 | 180.0° | 180.0° |
| C8 | C3 | C1 | C2 | 44.0° | 35.0° |
| C8 | C3 | C1 | N4 | 130.8° | 145.0° |
| H8 | C8 | C3 | C1 | 2.7° | 0.3° |
| C22 | C18 | C14 | H18 | 180.0° | 179.8° |
| C22 | C18 | C14 | S19 | 1.2° | 0.2° |
| C18 | C22 | C23 | S19 | 0.5° | 0.5° |
| C18 | C22 | C23 | H22 | 180.0° | 179.5° |
| C18 | C22 | C23 | H23 | 179.6° | 179.8° |
| C18 | C14 | S19 | C23 | 0.8° | 0.0° |
| C14 | C18 | C22 | C23 | 1.2° | 0.5° |
| C14 | C18 | C22 | H22 | 178.8° | 180.0° |
| H18 | C18 | C14 | S19 | 178.8° | 180.0° |
| H18 | C18 | C22 | C23 | 178.8° | 179.8° |
| H18 | C18 | C22 | H22 | 1.2° | 0.2° |
| C16 | C11 | C5 | C10 | 1.0° | 0.3° |
| C16 | C11 | C5 | H11 | 180.0° | 180.0° |
| C16 | C11 | C5 | C2 | 178.0° | 180.0° |
| H16 | C16 | C11 | C5 | 180.0° | 180.0° |
| H16 | C16 | C11 | H11 | 0.0° | 0.0° |
| O24 | C26 | H26 | H26A | 120.0° | 120.0° |
| O24 | C26 | H26 | H26B | 120.0° | 120.0° |
| O24 | C26 | H26A | H26B | 120.0° | 120.0° |
| H26 | C26 | H26A | H26B | 120.0° | 120.1° |
| C15 | C10 | C5 | H10 | 180.0° | 180.0° |
| C15 | C10 | C5 | C11 | 1.5° | 0.3° |
| C15 | C10 | C5 | C2 | 178.5° | 180.0° |
| H15 | C15 | C10 | C5 | 178.9° | 179.9° |
| H15 | C15 | C10 | H10 | 1.1° | 0.1° |
| C10 | C5 | C11 | C2 | 177.0° | 179.7° |
| C10 | C5 | C11 | H11 | 179.0° | 179.7° |
| C10 | C5 | C2 | N6 | 39.9° | 44.9° |
| C10 | C5 | C2 | C1 | 143.3° | 135.0° |
| H10 | C10 | C5 | C11 | 178.5° | 179.7° |
| H10 | C10 | C5 | C2 | 1.5° | 0.0° |
| C11 | C5 | C2 | N6 | 137.2° | 135.4° |
| C11 | C5 | C2 | C1 | 39.6° | 44.8° |
| H11 | C11 | C5 | C2 | 2.0° | 0.0° |
| C5 | C2 | N6 | C1 | 177.5° | 179.9° |
| C5 | C2 | C1 | N4 | 179.3° | 180.0° |
| C5 | C2 | C1 | C3 | 5.4° | 0.1° |
| C5 | C2 | N6 | HN6 | 0.3° | 0.1° |
| N6 | C2 | C1 | N4 | 2.1° | 0.1° |
| N6 | C2 | C1 | C3 | 177.4° | 179.9° |
| C2 | C1 | N4 | C3 | 176.0° | 180.0° |
| C1 | C2 | N6 | HN6 | 177.9° | 180.0° |
| C14 | S19 | C23 | C22 | 0.2° | 0.3° |
| C14 | S19 | C23 | H23 | 179.8° | 180.0° |
| S19 | C23 | C22 | H23 | 180.0° | 179.8° |
| S19 | C23 | C22 | H22 | 179.5° | 180.0° |
| H23 | C23 | C22 | H22 | 0.4° | 0.2° |
| C12 | C17 | O21 | C25 | 179.1° | 0.5° |
| H12 | C12 | C17 | O21 | 0.5° | 0.5° |
| C17 | O21 | C25 | H25 | 45.2° | 180.0° |
| C17 | O21 | C25 | H25A | 74.9° | 60.1° |
| C17 | O21 | C25 | H25B | 165.2° | 60.0° |
| O21 | C25 | H25 | H25A | 120.0° | 120.0° |
| O21 | C25 | H25 | H25B | 120.0° | 120.0° |
| O21 | C25 | H25A | H25B | 120.0° | 120.1° |
| H25 | C25 | H25A | H25B | 120.0° | 120.0° |
