PF9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| C7 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C2 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C10 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | N12 | sing | 1.32Å | 1.35Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
| C20 | C18 | sing | 1.42Å | 1.41Å | Aromatic |
| C23 | C21 | sing | 1.36Å | 1.39Å | Aromatic |
| C21 | C18 | doub | 1.41Å | 1.39Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C11 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C18 | N16 | sing | 1.34Å | 1.36Å | Aromatic |
| C19 | C17 | doub | 1.37Å | 1.40Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | sing | 1.42Å | 1.40Å | Aromatic |
| C2 | C26 | sing | 1.48Å | 1.49Å | Aromatic |
| C26 | C27 | doub | 1.36Å | 1.39Å | Aromatic |
| N28 | C30 | sing | 1.47Å | 1.49Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| N29 | N28 | sing | 1.40Å | 1.39Å | Aromatic |
| C27 | N28 | sing | 1.35Å | 1.34Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C5 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| N12 | C10 | doub | 1.32Å | 1.35Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C25 | N29 | doub | 1.32Å | 1.35Å | Aromatic |
| C1 | C25 | sing | 1.48Å | 1.49Å | Aromatic |
| C3 | C1 | doub | 1.39Å | 1.40Å | Aromatic |
| O13 | C11 | sing | 1.36Å | 1.37Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | O13 | sing | 1.43Å | 1.43Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C17 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| N16 | C15 | doub | 1.31Å | 1.36Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C24 | C22 | sing | 1.36Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C4 | C1 | 119.5° | 119.9° |
| C8 | C4 | H4 | 120.3° | 120.1° |
| C4 | C8 | C11 | 120.3° | 120.1° |
| C4 | C8 | H8 | 119.8° | 120.0° |
| C1 | C4 | H4 | 120.3° | 120.0° |
| C4 | C1 | C25 | 117.0° | 120.1° |
| C4 | C1 | C3 | 120.6° | 119.9° |
| C11 | C7 | C3 | 119.0° | 120.1° |
| C11 | C7 | H7 | 120.5° | 120.0° |
| C7 | C11 | C8 | 120.4° | 120.1° |
| C7 | C11 | O13 | 119.4° | 119.9° |
| C3 | C7 | H7 | 120.5° | 120.0° |
| C7 | C3 | C1 | 120.1° | 119.9° |
| C7 | C3 | H3 | 119.9° | 120.0° |
| C2 | C6 | C10 | 119.3° | 119.0° |
| C2 | C6 | H6 | 120.4° | 120.5° |
| C6 | C2 | C26 | 119.0° | 120.9° |
| C6 | C2 | C5 | 119.0° | 118.2° |
| C10 | C6 | H6 | 120.4° | 120.5° |
| C6 | C10 | N12 | 120.3° | 120.8° |
| C6 | C10 | H10 | 119.8° | 119.6° |
| C5 | C9 | N12 | 119.8° | 120.9° |
| C5 | C9 | H9 | 120.1° | 119.6° |
| C9 | C5 | C2 | 119.8° | 119.0° |
| C9 | C5 | H5 | 120.1° | 120.5° |
| N12 | C9 | H9 | 120.1° | 119.6° |
| C9 | N12 | C10 | 121.8° | 122.0° |
| C22 | C20 | C19 | 120.9° | 121.4° |
| C22 | C20 | C18 | 118.8° | 119.6° |
| C20 | C22 | C24 | 120.2° | 119.6° |
| C20 | C22 | H22 | 119.9° | 120.2° |
| C19 | C20 | C18 | 120.2° | 119.0° |
| C20 | C19 | C17 | 118.7° | 118.1° |
| C20 | C19 | H19 | 120.6° | 120.9° |
| C20 | C18 | C21 | 120.6° | 119.1° |
| C20 | C18 | N16 | 119.9° | 119.8° |
| C23 | C21 | C18 | 120.3° | 119.8° |
| C23 | C21 | H21 | 119.9° | 120.2° |
| C21 | C23 | C24 | 119.6° | 121.1° |
| C21 | C23 | H23 | 120.2° | 119.4° |
| C18 | C21 | H21 | 119.9° | 120.1° |
| C21 | C18 | N16 | 119.5° | 121.1° |
| C11 | C8 | H8 | 119.9° | 120.0° |
| C8 | C11 | O13 | 120.1° | 119.9° |
| C18 | N16 | C15 | 120.5° | 121.4° |
| C17 | C19 | H19 | 120.6° | 121.0° |
| C19 | C17 | C15 | 119.1° | 119.9° |
| C19 | C17 | H17 | 120.4° | 120.0° |
| C25 | C26 | C2 | 128.0° | 126.3° |
| C25 | C26 | C27 | 107.4° | 107.4° |
| C26 | C25 | N29 | 109.1° | 107.8° |
| C26 | C25 | C1 | 129.3° | 126.1° |
| C2 | C26 | C27 | 124.6° | 126.3° |
| C26 | C2 | C5 | 122.0° | 120.9° |
| C26 | C27 | N28 | 106.1° | 107.9° |
| C26 | C27 | H27 | 127.0° | 126.1° |
| N28 | C30 | H30 | 109.5° | 109.5° |
| N28 | C30 | H30A | 109.5° | 109.5° |
| N28 | C30 | H30B | 109.5° | 109.5° |
| C30 | N28 | N29 | 114.1° | 125.7° |
| C30 | N28 | C27 | 134.5° | 125.8° |
| H30 | C30 | H30A | 109.5° | 109.5° |
| H30 | C30 | H30B | 109.5° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.4° |
| N29 | N28 | C27 | 111.4° | 108.5° |
| N28 | N29 | C25 | 106.0° | 108.4° |
| N28 | C27 | H27 | 127.0° | 126.1° |
| C2 | C5 | H5 | 120.1° | 120.5° |
| N12 | C10 | H10 | 119.8° | 119.6° |
| N29 | C25 | C1 | 121.6° | 126.1° |
| C25 | C1 | C3 | 122.3° | 120.1° |
| C1 | C3 | H3 | 119.9° | 120.1° |
| C11 | O13 | C14 | 122.1° | 117.0° |
| O13 | C14 | C15 | 108.3° | 109.5° |
| O13 | C14 | H14 | 109.9° | 109.5° |
| O13 | C14 | H14A | 110.1° | 109.4° |
| C15 | C14 | H14 | 109.9° | 109.5° |
| C15 | C14 | H14A | 110.1° | 109.5° |
| C14 | C15 | C17 | 120.0° | 119.1° |
| C14 | C15 | N16 | 118.4° | 119.1° |
| H14 | C14 | H14A | 108.6° | 109.5° |
| C17 | C15 | N16 | 121.6° | 121.7° |
| C15 | C17 | H17 | 120.5° | 120.1° |
| C24 | C22 | H22 | 119.9° | 120.2° |
| C22 | C24 | C23 | 120.5° | 120.9° |
| C22 | C24 | H24 | 119.8° | 119.5° |
| C23 | C24 | H24 | 119.8° | 119.6° |
| C24 | C23 | H23 | 120.2° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C4 | C1 | H4 | 180.0° | 179.7° |
| C4 | C8 | C11 | C7 | 0.1° | 0.1° |
| C4 | C8 | C11 | H8 | 180.0° | 179.9° |
| C8 | C4 | C1 | C25 | 178.8° | 179.8° |
| C8 | C4 | C1 | C3 | 0.7° | 0.3° |
| C4 | C8 | C11 | O13 | 180.0° | 179.8° |
| C4 | C1 | C3 | C7 | 1.2° | 0.5° |
| C1 | C4 | C8 | C11 | 0.0° | 0.1° |
| C1 | C4 | C8 | H8 | 179.9° | 180.0° |
| C4 | C1 | C25 | C26 | 133.7° | 145.0° |
| C4 | C1 | C25 | N29 | 46.4° | 35.1° |
| C4 | C1 | C25 | C3 | 178.1° | 180.0° |
| C4 | C1 | C3 | H3 | 178.8° | 180.0° |
| H4 | C4 | C8 | C11 | 180.0° | 179.7° |
| H4 | C4 | C8 | H8 | 0.1° | 0.4° |
| H4 | C4 | C1 | C25 | 1.2° | 0.1° |
| H4 | C4 | C1 | C3 | 179.3° | 179.9° |
| C11 | C7 | C3 | H7 | 180.0° | 179.4° |
| C7 | C11 | C8 | O13 | 179.9° | 179.6° |
| C7 | C11 | C8 | H8 | 179.9° | 180.0° |
| C11 | C7 | C3 | C1 | 1.1° | 0.5° |
| C11 | C7 | C3 | H3 | 178.9° | 179.9° |
| C7 | C11 | O13 | C14 | 175.5° | 180.0° |
| C3 | C7 | C11 | C8 | 0.4° | 0.3° |
| C7 | C3 | C1 | C25 | 179.2° | 179.5° |
| C7 | C3 | C1 | H3 | 180.0° | 179.5° |
| C3 | C7 | C11 | O13 | 179.4° | 180.0° |
| H7 | C7 | C11 | C8 | 179.6° | 179.8° |
| H7 | C7 | C3 | C1 | 178.9° | 180.0° |
| H7 | C7 | C11 | O13 | 0.6° | 0.6° |
| H7 | C7 | C3 | H3 | 1.1° | 0.5° |
| C2 | C6 | C10 | H6 | 180.0° | 179.7° |
| C6 | C2 | C5 | C9 | 0.1° | 0.1° |
| C6 | C2 | C26 | C25 | 145.8° | 130.3° |
| C6 | C2 | C26 | C5 | 179.7° | 180.0° |
| C6 | C2 | C26 | C27 | 34.2° | 50.0° |
| C2 | C6 | C10 | N12 | 0.1° | 0.3° |
| C2 | C6 | C10 | H10 | 179.9° | 179.7° |
| C6 | C2 | C5 | H5 | 179.9° | 179.8° |
| C6 | C10 | N12 | C9 | 0.0° | 0.0° |
| C10 | C6 | C2 | C26 | 179.7° | 179.7° |
| C10 | C6 | C2 | C5 | 0.1° | 0.3° |
| C6 | C10 | N12 | H10 | 180.0° | 180.0° |
| H6 | C6 | C2 | C26 | 0.2° | 0.1° |
| H6 | C6 | C2 | C5 | 179.9° | 180.0° |
| H6 | C6 | C10 | N12 | 179.9° | 180.0° |
| H6 | C6 | C10 | H10 | 0.1° | 0.1° |
| C5 | C9 | N12 | H9 | 180.0° | 179.7° |
| C9 | C5 | C2 | C26 | 179.6° | 180.0° |
| C9 | C5 | C2 | H5 | 180.0° | 179.9° |
| C5 | C9 | N12 | C10 | 0.1° | 0.2° |
| N12 | C9 | C5 | C2 | 0.1° | 0.2° |
| C9 | N12 | C10 | H10 | 180.0° | 180.0° |
| N12 | C9 | C5 | H5 | 179.9° | 179.9° |
| H9 | C9 | C5 | C2 | 179.9° | 179.9° |
| H9 | C9 | N12 | C10 | 179.9° | 179.9° |
| H9 | C9 | C5 | H5 | 0.1° | 0.2° |
| C22 | C20 | C19 | C18 | 179.7° | 179.7° |
| C22 | C20 | C18 | C21 | 0.2° | 0.2° |
| C22 | C20 | C18 | N16 | 179.7° | 179.7° |
| C22 | C20 | C19 | C17 | 179.3° | 179.8° |
| C22 | C20 | C19 | H19 | 0.7° | 0.3° |
| C20 | C22 | C24 | H22 | 180.0° | 180.0° |
| C20 | C22 | C24 | C23 | 1.6° | 0.0° |
| C20 | C22 | C24 | H24 | 178.4° | 180.0° |
| C19 | C20 | C18 | C21 | 179.9° | 180.0° |
| C19 | C20 | C18 | N16 | 0.1° | 0.0° |
| C20 | C19 | C17 | H19 | 180.0° | 180.0° |
| C20 | C19 | C17 | C15 | 1.2° | 0.1° |
| C20 | C19 | C17 | H17 | 178.8° | 180.0° |
| C19 | C20 | C22 | C24 | 179.3° | 180.0° |
| C19 | C20 | C22 | H22 | 0.6° | 0.0° |
| C20 | C18 | C21 | C23 | 0.1° | 0.0° |
| C20 | C18 | C21 | N16 | 179.9° | 179.9° |
| C20 | C18 | C21 | H21 | 179.9° | 180.0° |
| C18 | C20 | C19 | C17 | 0.9° | 0.0° |
| C18 | C20 | C19 | H19 | 179.1° | 180.0° |
| C20 | C18 | N16 | C15 | 0.8° | 0.0° |
| C18 | C20 | C22 | C24 | 0.9° | 0.2° |
| C18 | C20 | C22 | H22 | 179.1° | 179.8° |
| C23 | C21 | C18 | H21 | 180.0° | 180.0° |
| C23 | C21 | C18 | N16 | 179.8° | 179.9° |
| C21 | C23 | C24 | C22 | 1.5° | 0.3° |
| C21 | C23 | C24 | H23 | 180.0° | 179.7° |
| C21 | C23 | C24 | H24 | 178.5° | 179.8° |
| C21 | C18 | N16 | C15 | 179.3° | 180.0° |
| C18 | C21 | C23 | C24 | 0.7° | 0.2° |
| C18 | C21 | C23 | H23 | 179.3° | 180.0° |
| H21 | C21 | C18 | N16 | 0.3° | 0.0° |
| H21 | C21 | C23 | C24 | 179.3° | 179.7° |
| H21 | C21 | C23 | H23 | 0.7° | 0.0° |
| C8 | C11 | O13 | C14 | 4.6° | 0.3° |
| H8 | C8 | C11 | O13 | 0.1° | 0.4° |
| C18 | N16 | C15 | C14 | 179.2° | 180.0° |
| C18 | N16 | C15 | C17 | 0.5° | 0.0° |
| C19 | C17 | C15 | C14 | 179.8° | 180.0° |
| C19 | C17 | C15 | H17 | 180.0° | 179.9° |
| C19 | C17 | C15 | N16 | 0.5° | 0.1° |
| H19 | C19 | C17 | C15 | 178.8° | 180.0° |
| H19 | C19 | C17 | H17 | 1.2° | 0.1° |
| C25 | C26 | C2 | C27 | 180.0° | 179.7° |
| C26 | C25 | N29 | N28 | 0.2° | 0.2° |
| C25 | C26 | C27 | N28 | 0.5° | 0.3° |
| C25 | C26 | C27 | H27 | 179.5° | 179.8° |
| C25 | C26 | C2 | C5 | 33.8° | 49.7° |
| C26 | C25 | N29 | C1 | 179.9° | 179.9° |
| C26 | C25 | C1 | C3 | 48.2° | 35.0° |
| C2 | C26 | C27 | N28 | 179.5° | 180.0° |
| C2 | C26 | C27 | H27 | 0.5° | 0.1° |
| C26 | C2 | C5 | H5 | 0.4° | 0.2° |
| C2 | C26 | C25 | N29 | 179.8° | 179.8° |
| C2 | C26 | C25 | C1 | 0.3° | 0.3° |
| C26 | C27 | N28 | C30 | 179.9° | 180.0° |
| C26 | C27 | N28 | N29 | 0.6° | 0.4° |
| C26 | C27 | N28 | H27 | 180.0° | 179.9° |
| C27 | C26 | C2 | C5 | 146.1° | 129.9° |
| C27 | C26 | C25 | N29 | 0.2° | 0.0° |
| C27 | C26 | C25 | C1 | 179.7° | 180.0° |
| N28 | C30 | H30 | H30A | 120.0° | 120.0° |
| N28 | C30 | H30 | H30B | 120.0° | 120.0° |
| N28 | C30 | H30A | H30B | 120.0° | 120.0° |
| C30 | N28 | N29 | C27 | 179.4° | 179.6° |
| C30 | N28 | C27 | H27 | 0.1° | 0.0° |
| C30 | N28 | N29 | C25 | 179.9° | 180.0° |
| H30 | C30 | H30A | H30B | 120.0° | 120.0° |
| H30 | C30 | N28 | N29 | 144.1° | 90.4° |
| H30 | C30 | N28 | C27 | 35.1° | 90.0° |
| H30A | C30 | N28 | N29 | 95.9° | 29.6° |
| H30A | C30 | N28 | C27 | 84.9° | 150.0° |
| H30B | C30 | N28 | N29 | 24.1° | 149.6° |
| H30B | C30 | N28 | C27 | 155.1° | 30.0° |
| N29 | N28 | C27 | H27 | 179.4° | 179.7° |
| N28 | N29 | C25 | C1 | 179.9° | 179.8° |
| C27 | N28 | N29 | C25 | 0.5° | 0.4° |
| N29 | C25 | C1 | C3 | 131.7° | 145.0° |
| C25 | C1 | C3 | H3 | 0.8° | 0.0° |
| C11 | O13 | C14 | C15 | 161.8° | 180.0° |
| C11 | O13 | C14 | H14 | 41.8° | 60.0° |
| C11 | O13 | C14 | H14A | 77.7° | 60.0° |
| O13 | C14 | C15 | H14 | 120.0° | 120.0° |
| O13 | C14 | C15 | H14A | 120.5° | 120.0° |
| O13 | C14 | H14 | H14A | 120.5° | 120.0° |
| O13 | C14 | C15 | C17 | 155.8° | 0.0° |
| O13 | C14 | C15 | N16 | 23.9° | 180.0° |
| C15 | C14 | H14 | H14A | 120.5° | 120.0° |
| C14 | C15 | C17 | N16 | 179.7° | 179.9° |
| C14 | C15 | C17 | H17 | 0.2° | 0.1° |
| H14 | C14 | C15 | C17 | 35.8° | 120.0° |
| H14 | C14 | C15 | N16 | 143.9° | 60.0° |
| H14A | C14 | C15 | C17 | 83.7° | 119.9° |
| H14A | C14 | C15 | N16 | 96.5° | 60.0° |
| N16 | C15 | C17 | H17 | 179.5° | 180.0° |
| C22 | C24 | C23 | H24 | 180.0° | 180.0° |
| C22 | C24 | C23 | H23 | 178.5° | 180.0° |
| H22 | C22 | C24 | C23 | 178.4° | 180.0° |
| H22 | C22 | C24 | H24 | 1.6° | 0.0° |
| H24 | C24 | C23 | H23 | 1.5° | 0.1° |
