K9F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.36Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.34Å | Aromatic |
| C2 | C7 | sing | 1.48Å | 1.48Å | |
| C7 | N8 | sing | 1.35Å | 1.32Å | Aromatic |
| N8 | C9 | doub | 1.30Å | 1.39Å | Aromatic |
| C9 | N10 | sing | 1.35Å | 1.38Å | Aromatic |
| C7 | C11 | doub | 1.36Å | 1.39Å | Aromatic |
| N10 | C11 | sing | 1.37Å | 1.33Å | Aromatic |
| C9 | C12 | sing | 1.51Å | 1.54Å | |
| N10 | C13 | sing | 1.46Å | 1.44Å | |
| C12 | C14 | sing | 1.53Å | 1.59Å | |
| C14 | C15 | sing | 1.51Å | 1.48Å | |
| C16 | C17 | doub | 1.36Å | 1.34Å | Aromatic |
| C15 | C18 | doub | 1.36Å | 1.35Å | Aromatic |
| C17 | C18 | sing | 1.39Å | 1.45Å | Aromatic |
| C16 | C19 | sing | 1.41Å | 1.41Å | Aromatic |
| C15 | C20 | sing | 1.41Å | 1.42Å | Aromatic |
| C19 | C20 | doub | 1.42Å | 1.38Å | Aromatic |
| C20 | N21 | sing | 1.34Å | 1.43Å | Aromatic |
| N21 | C22 | doub | 1.31Å | 1.31Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.45Å | Aromatic |
| C19 | N24 | sing | 1.34Å | 1.35Å | Aromatic |
| C23 | N24 | doub | 1.31Å | 1.36Å | Aromatic |
| C11 | H30 | sing | 1.08Å | 1.08Å | |
| C13 | H34 | sing | 1.09Å | 1.10Å | |
| C13 | H33 | sing | 1.09Å | 1.10Å | |
| C13 | H35 | sing | 1.09Å | 1.10Å | |
| C16 | H38 | sing | 1.08Å | 1.08Å | |
| C17 | H39 | sing | 1.08Å | 1.08Å | |
| C18 | H40 | sing | 1.08Å | 1.08Å | |
| C22 | H41 | sing | 1.08Å | 1.08Å | |
| C23 | H42 | sing | 1.08Å | 1.08Å | |
| C1 | H25 | sing | 1.08Å | 1.08Å | |
| C3 | H26 | sing | 1.08Å | 1.08Å | |
| C4 | H27 | sing | 1.08Å | 1.08Å | |
| C5 | H28 | sing | 1.08Å | 1.08Å | |
| C6 | H29 | sing | 1.08Å | 1.08Å | |
| C12 | H31 | sing | 1.09Å | 1.10Å | |
| C12 | H32 | sing | 1.09Å | 1.10Å | |
| C14 | H37 | sing | 1.09Å | 1.10Å | |
| C14 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 119.9° | 119.7° |
| C2 | C1 | C6 | 118.9° | 119.9° |
| C1 | C2 | C7 | 120.7° | 120.2° |
| C2 | C1 | H25 | 120.6° | 120.0° |
| C2 | C3 | C4 | 120.4° | 119.9° |
| C3 | C2 | C7 | 119.4° | 120.1° |
| C2 | C3 | H26 | 119.8° | 120.1° |
| C3 | C4 | C5 | 120.8° | 120.1° |
| C4 | C3 | H26 | 119.8° | 120.1° |
| C3 | C4 | H27 | 119.6° | 120.0° |
| C4 | C5 | C6 | 118.1° | 120.2° |
| C5 | C4 | H27 | 119.6° | 119.9° |
| C4 | C5 | H28 | 121.0° | 119.9° |
| C1 | C6 | C5 | 121.7° | 120.1° |
| C6 | C1 | H25 | 120.5° | 120.0° |
| C1 | C6 | H29 | 119.2° | 120.0° |
| C6 | C5 | H28 | 120.9° | 119.9° |
| C5 | C6 | H29 | 119.1° | 119.9° |
| C2 | C7 | N8 | 125.5° | 126.1° |
| C2 | C7 | C11 | 125.3° | 126.1° |
| C7 | N8 | C9 | 107.2° | 109.2° |
| N8 | C7 | C11 | 109.2° | 107.7° |
| N8 | C9 | N10 | 107.4° | 109.0° |
| N8 | C9 | C12 | 125.7° | 125.5° |
| C9 | N10 | C11 | 108.4° | 107.5° |
| N10 | C9 | C12 | 126.9° | 125.5° |
| C9 | N10 | C13 | 127.6° | 126.3° |
| C7 | C11 | N10 | 107.6° | 106.6° |
| C7 | C11 | H30 | 126.2° | 126.7° |
| C11 | N10 | C13 | 123.9° | 126.3° |
| N10 | C11 | H30 | 126.2° | 126.7° |
| C9 | C12 | C14 | 109.0° | 109.5° |
| C9 | C12 | H31 | 109.6° | 109.5° |
| C9 | C12 | H32 | 109.6° | 109.5° |
| N10 | C13 | H34 | 109.5° | 109.5° |
| N10 | C13 | H33 | 109.5° | 109.5° |
| N10 | C13 | H35 | 109.5° | 109.5° |
| C12 | C14 | C15 | 110.4° | 109.5° |
| C14 | C12 | H31 | 109.6° | 109.4° |
| C14 | C12 | H32 | 109.6° | 109.5° |
| C12 | C14 | H37 | 109.3° | 109.5° |
| C12 | C14 | H36 | 109.2° | 109.4° |
| C14 | C15 | C18 | 122.4° | 120.1° |
| C14 | C15 | C20 | 119.7° | 120.2° |
| C15 | C14 | H37 | 109.2° | 109.5° |
| C15 | C14 | H36 | 109.3° | 109.4° |
| C16 | C17 | C18 | 120.5° | 121.0° |
| C17 | C16 | C19 | 118.1° | 119.7° |
| C17 | C16 | H38 | 120.9° | 120.2° |
| C16 | C17 | H39 | 119.7° | 119.5° |
| C15 | C18 | C17 | 121.6° | 121.0° |
| C18 | C15 | C20 | 118.0° | 119.7° |
| C15 | C18 | H40 | 119.2° | 119.5° |
| C18 | C17 | H39 | 119.8° | 119.5° |
| C17 | C18 | H40 | 119.2° | 119.5° |
| C16 | C19 | C20 | 121.5° | 119.3° |
| C16 | C19 | N24 | 118.4° | 121.1° |
| C19 | C16 | H38 | 120.9° | 120.1° |
| C15 | C20 | C19 | 120.2° | 119.3° |
| C15 | C20 | N21 | 116.0° | 121.1° |
| C19 | C20 | N21 | 123.7° | 119.6° |
| C20 | C19 | N24 | 120.0° | 119.6° |
| C20 | N21 | C22 | 115.6° | 119.7° |
| N21 | C22 | C23 | 120.5° | 120.7° |
| N21 | C22 | H41 | 119.7° | 119.7° |
| C22 | C23 | N24 | 122.7° | 120.7° |
| C23 | C22 | H41 | 119.7° | 119.7° |
| C22 | C23 | H42 | 118.7° | 119.7° |
| C19 | N24 | C23 | 117.3° | 119.7° |
| N24 | C23 | H42 | 118.7° | 119.6° |
| H34 | C13 | H33 | 109.4° | 109.5° |
| H34 | C13 | H35 | 109.5° | 109.5° |
| H33 | C13 | H35 | 109.4° | 109.4° |
| H31 | C12 | H32 | 109.5° | 109.5° |
| H37 | C14 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | C7 | 178.3° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C2 | C1 | C6 | H25 | 180.0° | 179.7° |
| C2 | C1 | C6 | C5 | 3.2° | 0.0° |
| C1 | C2 | C7 | N8 | 176.1° | 0.1° |
| C1 | C2 | C7 | C11 | 6.7° | 180.0° |
| C1 | C2 | C3 | H26 | 179.5° | 179.9° |
| C2 | C1 | C6 | H29 | 176.8° | 180.0° |
| C2 | C3 | C4 | H26 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.2° | 0.0° |
| C3 | C2 | C1 | C6 | 2.5° | 0.0° |
| C3 | C2 | C7 | N8 | 5.7° | 180.0° |
| C3 | C2 | C7 | C11 | 171.5° | 0.0° |
| C3 | C2 | C1 | H25 | 177.5° | 179.7° |
| C2 | C3 | C4 | H27 | 178.9° | 180.0° |
| C3 | C4 | C5 | H27 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.0° |
| C4 | C3 | C2 | C7 | 178.7° | 179.9° |
| C3 | C4 | C5 | H28 | 179.5° | 180.0° |
| C4 | C5 | C6 | C1 | 1.6° | 0.0° |
| C4 | C5 | C6 | H28 | 180.0° | 180.0° |
| C5 | C4 | C3 | H26 | 178.9° | 179.9° |
| C4 | C5 | C6 | H29 | 178.4° | 180.0° |
| C1 | C6 | C5 | H29 | 180.0° | 180.0° |
| C6 | C1 | C2 | C7 | 179.2° | 180.0° |
| C1 | C6 | C5 | H28 | 178.3° | 180.0° |
| C5 | C6 | C1 | H25 | 176.8° | 179.7° |
| C6 | C5 | C4 | H27 | 179.5° | 180.0° |
| C2 | C7 | N8 | C11 | 177.6° | 179.9° |
| C2 | C7 | N8 | C9 | 179.0° | 180.0° |
| C2 | C7 | C11 | N10 | 179.9° | 179.7° |
| C2 | C7 | C11 | H30 | 0.1° | 0.0° |
| C7 | C2 | C1 | H25 | 0.8° | 0.4° |
| C7 | C2 | C3 | H26 | 1.3° | 0.0° |
| C7 | N8 | C9 | N10 | 0.2° | 0.2° |
| N8 | C7 | C11 | N10 | 2.5° | 0.2° |
| C7 | N8 | C9 | C12 | 179.8° | 180.0° |
| N8 | C7 | C11 | H30 | 177.5° | 180.0° |
| N8 | C9 | N10 | C12 | 179.6° | 179.8° |
| C9 | N8 | C7 | C11 | 1.4° | 0.0° |
| N8 | C9 | N10 | C11 | 1.7° | 0.4° |
| N8 | C9 | N10 | C13 | 178.2° | 180.0° |
| N8 | C9 | C12 | C14 | 58.4° | 90.0° |
| N8 | C9 | C12 | H31 | 61.6° | 150.0° |
| N8 | C9 | C12 | H32 | 178.3° | 30.0° |
| C9 | N10 | C11 | C7 | 2.5° | 0.3° |
| C9 | N10 | C11 | C13 | 176.7° | 179.6° |
| N10 | C9 | C12 | C14 | 122.1° | 89.7° |
| C9 | N10 | C11 | H30 | 177.5° | 179.9° |
| C9 | N10 | C13 | H34 | 180.0° | 90.0° |
| C9 | N10 | C13 | H33 | 60.0° | 150.0° |
| C9 | N10 | C13 | H35 | 60.0° | 30.0° |
| N10 | C9 | C12 | H31 | 118.0° | 30.2° |
| N10 | C9 | C12 | H32 | 2.2° | 150.3° |
| C7 | C11 | N10 | H30 | 180.0° | 179.7° |
| C7 | C11 | N10 | C13 | 179.2° | 180.0° |
| C11 | N10 | C9 | C12 | 178.7° | 179.8° |
| C11 | N10 | C13 | H34 | 4.0° | 90.4° |
| C11 | N10 | C13 | H33 | 116.0° | 29.6° |
| C11 | N10 | C13 | H35 | 124.0° | 149.5° |
| C12 | C9 | N10 | C13 | 2.2° | 0.2° |
| C9 | C12 | C14 | H31 | 119.9° | 120.0° |
| C9 | C12 | C14 | H32 | 119.9° | 120.0° |
| C9 | C12 | C14 | C15 | 144.8° | 180.0° |
| C9 | C12 | H31 | H32 | 120.2° | 120.0° |
| C9 | C12 | C14 | H37 | 24.7° | 60.0° |
| C9 | C12 | C14 | H36 | 95.0° | 60.0° |
| C13 | N10 | C11 | H30 | 0.8° | 0.3° |
| N10 | C13 | H34 | H33 | 120.0° | 120.0° |
| N10 | C13 | H34 | H35 | 120.0° | 120.0° |
| N10 | C13 | H33 | H35 | 120.0° | 120.0° |
| C12 | C14 | C15 | H37 | 120.1° | 120.0° |
| C12 | C14 | C15 | H36 | 120.1° | 119.9° |
| C12 | C14 | C15 | C18 | 92.3° | 95.0° |
| C12 | C14 | C15 | C20 | 87.4° | 84.7° |
| C14 | C12 | H31 | H32 | 120.2° | 120.0° |
| C12 | C14 | H37 | H36 | 119.6° | 120.0° |
| C14 | C15 | C18 | C20 | 179.7° | 179.7° |
| C14 | C15 | C18 | C17 | 179.7° | 179.7° |
| C14 | C15 | C20 | C19 | 179.7° | 179.8° |
| C14 | C15 | C20 | N21 | 2.5° | 0.3° |
| C14 | C15 | C18 | H40 | 0.3° | 0.4° |
| C15 | C14 | C12 | H31 | 95.2° | 60.1° |
| C15 | C14 | C12 | H32 | 24.9° | 59.9° |
| C15 | C14 | H37 | H36 | 119.6° | 120.0° |
| C16 | C17 | C18 | C15 | 2.5° | 0.0° |
| C16 | C17 | C18 | H39 | 180.0° | 180.0° |
| C17 | C16 | C19 | H38 | 180.0° | 180.0° |
| C17 | C16 | C19 | C20 | 4.7° | 0.0° |
| C17 | C16 | C19 | N24 | 177.7° | 179.9° |
| C16 | C17 | C18 | H40 | 177.5° | 179.9° |
| C15 | C18 | C17 | H40 | 180.0° | 179.9° |
| C18 | C15 | C20 | C19 | 0.0° | 0.1° |
| C18 | C15 | C20 | N21 | 177.2° | 179.9° |
| C15 | C18 | C17 | H39 | 177.5° | 180.0° |
| C18 | C15 | C14 | H37 | 27.9° | 25.0° |
| C18 | C15 | C14 | H36 | 147.6° | 145.1° |
| C18 | C17 | C16 | C19 | 4.7° | 0.0° |
| C17 | C18 | C15 | C20 | 0.0° | 0.1° |
| C18 | C17 | C16 | H38 | 175.4° | 180.0° |
| C16 | C19 | C20 | C15 | 2.3° | 0.1° |
| C16 | C19 | C20 | N24 | 177.6° | 179.9° |
| C16 | C19 | C20 | N21 | 179.3° | 180.0° |
| C16 | C19 | N24 | C23 | 178.9° | 180.0° |
| C19 | C16 | C17 | H39 | 175.3° | 180.0° |
| C15 | C20 | C19 | N21 | 176.9° | 180.0° |
| C15 | C20 | N21 | C22 | 178.8° | 180.0° |
| C15 | C20 | C19 | N24 | 179.9° | 180.0° |
| C20 | C15 | C18 | H40 | 180.0° | 180.0° |
| C20 | C15 | C14 | H37 | 152.4° | 155.3° |
| C20 | C15 | C14 | H36 | 32.7° | 35.3° |
| C19 | C20 | N21 | C22 | 4.1° | 0.0° |
| C20 | C19 | N24 | C23 | 1.2° | 0.0° |
| C20 | C19 | C16 | H38 | 175.4° | 180.0° |
| C20 | N21 | C22 | C23 | 3.1° | 0.0° |
| N21 | C20 | C19 | N24 | 3.1° | 0.0° |
| C20 | N21 | C22 | H41 | 176.9° | 180.0° |
| N21 | C22 | C23 | H41 | 180.0° | 180.0° |
| N21 | C22 | C23 | N24 | 1.5° | 0.0° |
| N21 | C22 | C23 | H42 | 178.5° | 180.0° |
| C22 | C23 | N24 | C19 | 0.4° | 0.0° |
| C22 | C23 | N24 | H42 | 180.0° | 179.9° |
| N24 | C19 | C16 | H38 | 2.3° | 0.0° |
| C19 | N24 | C23 | H42 | 179.6° | 180.0° |
| N24 | C23 | C22 | H41 | 178.5° | 180.0° |
| H34 | C13 | H33 | H35 | 120.0° | 120.0° |
| H38 | C16 | C17 | H39 | 4.6° | 0.0° |
| H39 | C17 | C18 | H40 | 2.5° | 0.1° |
| H41 | C22 | C23 | H42 | 1.5° | 0.1° |
| H25 | C1 | C6 | H29 | 3.2° | 0.3° |
| H26 | C3 | C4 | H27 | 1.1° | 0.1° |
| H27 | C4 | C5 | H28 | 0.5° | 0.0° |
| H28 | C5 | C6 | H29 | 1.6° | 0.0° |
| H31 | C12 | C14 | H37 | 144.6° | 60.0° |
| H31 | C12 | C14 | H36 | 24.9° | 180.0° |
| H32 | C12 | C14 | H37 | 95.2° | 180.0° |
| H32 | C12 | C14 | H36 | 145.0° | 60.0° |
