F8I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | doub | 1.35Å | 1.35Å | Aromatic |
| C20 | C15 | sing | 1.41Å | 1.42Å | Aromatic |
| C19 | N4 | sing | 1.37Å | 1.37Å | Aromatic |
| C14 | N1 | sing | 1.48Å | 1.46Å | |
| C14 | C13 | sing | 1.53Å | 1.50Å | |
| N1 | C15 | sing | 1.39Å | 1.36Å | |
| C15 | N2 | doub | 1.32Å | 1.33Å | Aromatic |
| N4 | N3 | sing | 1.40Å | 1.40Å | Aromatic |
| N4 | C16 | sing | 1.37Å | 1.36Å | Aromatic |
| C13 | O2 | sing | 1.43Å | 1.43Å | |
| N2 | C16 | sing | 1.34Å | 1.33Å | Aromatic |
| N3 | C18 | doub | 1.31Å | 1.33Å | Aromatic |
| C16 | C17 | doub | 1.40Å | 1.41Å | Aromatic |
| O2 | C12 | sing | 1.43Å | 1.42Å | |
| C18 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C8 | sing | 1.48Å | 1.48Å | |
| C12 | C11 | sing | 1.53Å | 1.49Å | |
| C11 | O1 | sing | 1.43Å | 1.44Å | |
| C9 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C10 | O1 | sing | 1.36Å | 1.37Å | |
| C10 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.36Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C | sing | 1.47Å | 1.49Å | |
| N | C | sing | 1.35Å | 1.35Å | |
| N | C1 | sing | 1.47Å | 1.48Å | |
| C | O | doub | 1.22Å | 1.23Å | |
| C3 | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C4 | sing | 1.53Å | 1.52Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C19 | H22 | sing | 1.08Å | 1.08Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| N | H24 | sing | 0.97Å | 1.00Å | |
| N1 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C15 | 117.4° | 119.1° |
| C20 | C19 | N4 | 118.5° | 119.1° |
| C20 | C19 | H22 | 120.8° | 120.5° |
| C19 | C20 | H23 | 121.3° | 120.4° |
| C20 | C15 | N1 | 122.7° | 118.7° |
| C20 | C15 | N2 | 124.0° | 120.4° |
| C15 | C20 | H23 | 121.3° | 120.5° |
| C19 | N4 | N3 | 127.5° | 131.6° |
| C19 | N4 | C16 | 120.9° | 120.3° |
| N4 | C19 | H22 | 120.7° | 120.4° |
| N1 | C14 | C13 | 113.0° | 109.0° |
| C14 | N1 | C15 | 124.4° | 115.6° |
| N1 | C14 | H19 | 108.6° | 109.6° |
| N1 | C14 | H20 | 108.6° | 109.5° |
| C14 | N1 | H25 | 105.6° | 121.9° |
| C14 | C13 | O2 | 109.3° | 109.2° |
| C14 | C13 | H17 | 109.5° | 109.5° |
| C14 | C13 | H18 | 109.5° | 109.6° |
| C13 | C14 | H19 | 108.6° | 109.6° |
| C13 | C14 | H20 | 108.6° | 109.5° |
| N1 | C15 | N2 | 113.3° | 120.9° |
| C15 | N1 | H25 | 105.6° | 122.4° |
| C15 | N2 | C16 | 116.3° | 120.8° |
| N3 | N4 | C16 | 111.6° | 108.2° |
| N4 | N3 | C18 | 104.0° | 109.2° |
| N4 | C16 | N2 | 122.9° | 120.2° |
| N4 | C16 | C17 | 106.6° | 106.6° |
| C13 | O2 | C12 | 113.8° | 114.1° |
| O2 | C13 | H17 | 109.5° | 109.5° |
| O2 | C13 | H18 | 109.5° | 109.5° |
| N2 | C16 | C17 | 130.3° | 133.2° |
| N3 | C18 | C17 | 113.2° | 108.9° |
| N3 | C18 | H21 | 123.4° | 125.5° |
| C16 | C17 | C18 | 104.5° | 107.1° |
| C16 | C17 | C8 | 126.6° | 128.1° |
| O2 | C12 | C11 | 108.6° | 109.5° |
| O2 | C12 | H15 | 109.7° | 109.4° |
| O2 | C12 | H16 | 109.7° | 109.5° |
| C18 | C17 | C8 | 128.9° | 124.8° |
| C17 | C18 | H21 | 123.4° | 125.6° |
| C17 | C8 | C9 | 118.9° | 121.2° |
| C17 | C8 | C7 | 121.5° | 118.9° |
| C12 | C11 | O1 | 108.3° | 109.5° |
| C12 | C11 | H13 | 109.8° | 109.4° |
| C12 | C11 | H14 | 109.8° | 109.5° |
| C11 | C12 | H15 | 109.7° | 109.5° |
| C11 | C12 | H16 | 109.7° | 109.5° |
| C11 | O1 | C10 | 118.1° | 117.5° |
| O1 | C11 | H13 | 109.7° | 109.5° |
| O1 | C11 | H14 | 109.8° | 109.5° |
| C8 | C9 | C10 | 119.9° | 119.9° |
| C9 | C8 | C7 | 119.5° | 119.9° |
| C8 | C9 | H10 | 120.1° | 120.0° |
| C9 | C10 | O1 | 122.8° | 120.5° |
| C9 | C10 | C5 | 121.7° | 119.8° |
| C10 | C9 | H10 | 120.1° | 120.1° |
| C8 | C7 | C6 | 120.5° | 120.4° |
| C8 | C7 | H12 | 119.8° | 119.8° |
| O1 | C10 | C5 | 115.5° | 119.8° |
| C10 | C5 | C6 | 117.9° | 120.0° |
| C10 | C5 | C | 122.2° | 120.0° |
| C7 | C6 | C5 | 120.5° | 120.0° |
| C7 | C6 | H11 | 119.7° | 120.0° |
| C6 | C7 | H12 | 119.7° | 119.8° |
| C6 | C5 | C | 119.8° | 120.0° |
| C5 | C6 | H11 | 119.7° | 120.0° |
| C5 | C | N | 112.8° | 120.0° |
| C5 | C | O | 122.7° | 120.0° |
| C | N | C1 | 126.8° | 120.0° |
| N | C | O | 124.5° | 120.0° |
| C | N | H24 | 116.6° | 120.1° |
| N | C1 | C3 | 106.4° | 109.5° |
| N | C1 | C4 | 109.8° | 109.4° |
| N | C1 | C2 | 111.0° | 109.5° |
| C1 | N | H24 | 116.6° | 120.0° |
| C3 | C1 | C4 | 110.3° | 109.5° |
| C3 | C1 | C2 | 109.7° | 109.5° |
| C1 | C3 | H4 | 109.5° | 109.5° |
| C1 | C3 | H5 | 109.5° | 109.5° |
| C1 | C3 | H6 | 109.5° | 109.4° |
| C4 | C1 | C2 | 109.6° | 109.4° |
| C1 | C4 | H7 | 109.5° | 109.5° |
| C1 | C4 | H8 | 109.5° | 109.5° |
| C1 | C4 | H9 | 109.5° | 109.5° |
| C1 | C2 | H1 | 109.5° | 109.5° |
| C1 | C2 | H2 | 109.4° | 109.4° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.4° |
| H1 | C2 | H3 | 109.4° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H4 | C3 | H6 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.4° |
| H7 | C4 | H8 | 109.5° | 109.5° |
| H7 | C4 | H9 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.4° | 109.4° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C15 | H23 | 180.0° | 180.0° |
| C20 | C19 | N4 | H22 | 180.0° | 179.9° |
| C19 | C20 | C15 | N1 | 175.6° | 179.6° |
| C19 | C20 | C15 | N2 | 1.3° | 2.1° |
| C20 | C19 | N4 | N3 | 174.6° | 178.4° |
| C20 | C19 | N4 | C16 | 2.4° | 1.7° |
| C15 | C20 | C19 | N4 | 0.9° | 0.8° |
| C20 | C15 | N1 | C14 | 115.6° | 168.9° |
| C20 | C15 | N1 | N2 | 177.2° | 178.3° |
| C20 | C15 | N2 | C16 | 1.8° | 0.7° |
| C15 | C20 | C19 | H22 | 179.1° | 179.3° |
| C20 | C15 | N1 | H25 | 6.5° | 9.0° |
| C19 | N4 | N3 | C16 | 177.2° | 179.9° |
| C19 | N4 | C16 | N2 | 1.9° | 3.1° |
| C19 | N4 | N3 | C18 | 177.3° | 177.4° |
| C19 | N4 | C16 | C17 | 177.6° | 176.7° |
| N4 | C19 | C20 | H23 | 179.1° | 179.2° |
| N1 | C14 | C13 | H19 | 120.5° | 119.9° |
| N1 | C14 | C13 | H20 | 120.5° | 119.8° |
| C14 | N1 | C15 | H25 | 122.0° | 177.9° |
| C14 | N1 | C15 | N2 | 67.2° | 12.8° |
| N1 | C14 | C13 | O2 | 58.5° | 174.9° |
| N1 | C14 | C13 | H17 | 61.5° | 55.0° |
| N1 | C14 | C13 | H18 | 178.5° | 65.1° |
| N1 | C14 | H19 | H20 | 118.4° | 120.2° |
| C13 | C14 | N1 | C15 | 105.5° | 69.6° |
| C14 | C13 | O2 | H17 | 120.0° | 119.9° |
| C14 | C13 | O2 | H18 | 120.0° | 120.0° |
| C14 | C13 | O2 | C12 | 169.9° | 143.9° |
| C14 | C13 | H17 | H18 | 120.0° | 120.2° |
| C13 | C14 | H19 | H20 | 118.4° | 120.2° |
| C13 | C14 | N1 | H25 | 132.5° | 112.6° |
| N1 | C15 | N2 | C16 | 175.4° | 179.0° |
| C15 | N1 | C14 | H19 | 133.9° | 170.5° |
| C15 | N1 | C14 | H20 | 15.0° | 50.2° |
| N1 | C15 | C20 | H23 | 4.4° | 0.4° |
| C15 | N2 | C16 | N4 | 0.2° | 1.8° |
| C15 | N2 | C16 | C17 | 174.4° | 177.9° |
| N2 | C15 | C20 | H23 | 178.7° | 177.9° |
| N2 | C15 | N1 | H25 | 170.7° | 169.3° |
| N3 | N4 | C16 | N2 | 175.5° | 177.0° |
| N3 | N4 | C16 | C17 | 0.2° | 3.2° |
| N4 | N3 | C18 | C17 | 0.0° | 0.7° |
| N4 | N3 | C18 | H21 | 180.0° | 179.3° |
| N3 | N4 | C19 | H22 | 5.4° | 1.6° |
| N4 | C16 | N2 | C17 | 174.6° | 179.7° |
| C16 | N4 | N3 | C18 | 0.1° | 2.4° |
| N4 | C16 | C17 | C18 | 0.2° | 2.8° |
| N4 | C16 | C17 | C8 | 178.1° | 177.2° |
| C16 | N4 | C19 | H22 | 177.6° | 178.2° |
| C13 | O2 | C12 | C11 | 127.7° | 95.1° |
| C13 | O2 | C12 | H15 | 112.4° | 24.9° |
| C13 | O2 | C12 | H16 | 7.8° | 144.9° |
| O2 | C13 | H17 | H18 | 120.1° | 120.1° |
| O2 | C13 | C14 | H19 | 179.0° | 55.0° |
| O2 | C13 | C14 | H20 | 62.0° | 65.3° |
| N2 | C16 | C17 | C18 | 175.1° | 177.5° |
| N2 | C16 | C17 | C8 | 6.7° | 2.6° |
| N3 | C18 | C17 | C16 | 0.1° | 1.3° |
| N3 | C18 | C17 | H21 | 180.0° | 180.0° |
| N3 | C18 | C17 | C8 | 178.1° | 178.6° |
| C16 | C17 | C18 | C8 | 178.2° | 179.9° |
| C16 | C17 | C8 | C9 | 6.0° | 2.6° |
| C16 | C17 | C8 | C7 | 177.3° | 178.5° |
| C16 | C17 | C18 | H21 | 179.9° | 178.7° |
| O2 | C12 | C11 | H15 | 119.9° | 119.9° |
| O2 | C12 | C11 | H16 | 119.9° | 120.0° |
| O2 | C12 | C11 | O1 | 111.4° | 155.2° |
| O2 | C12 | C11 | H13 | 128.8° | 35.2° |
| O2 | C12 | C11 | H14 | 8.4° | 84.7° |
| O2 | C12 | H15 | H16 | 120.4° | 120.0° |
| C12 | O2 | C13 | H17 | 70.1° | 96.2° |
| C12 | O2 | C13 | H18 | 50.0° | 23.9° |
| C18 | C17 | C8 | C9 | 171.8° | 177.3° |
| C18 | C17 | C8 | C7 | 4.8° | 1.6° |
| C17 | C8 | C9 | C7 | 176.7° | 178.9° |
| C17 | C8 | C9 | C10 | 175.8° | 179.3° |
| C17 | C8 | C7 | C6 | 175.2° | 179.0° |
| C17 | C8 | C9 | H10 | 4.2° | 1.6° |
| C17 | C8 | C7 | H12 | 4.7° | 0.9° |
| C8 | C17 | C18 | H21 | 1.9° | 1.4° |
| C12 | C11 | O1 | H13 | 119.8° | 120.0° |
| C12 | C11 | O1 | H14 | 119.8° | 120.0° |
| C12 | C11 | O1 | C10 | 94.4° | 105.2° |
| C12 | C11 | H13 | H14 | 120.5° | 120.0° |
| C11 | C12 | H15 | H16 | 120.4° | 120.0° |
| C11 | O1 | C10 | C9 | 28.9° | 25.0° |
| C11 | O1 | C10 | C5 | 151.1° | 155.6° |
| O1 | C11 | H13 | H14 | 120.5° | 120.0° |
| O1 | C11 | C12 | H15 | 8.5° | 35.3° |
| O1 | C11 | C12 | H16 | 128.7° | 84.7° |
| C8 | C9 | C10 | H10 | 180.0° | 179.1° |
| C8 | C9 | C10 | O1 | 179.8° | 179.8° |
| C8 | C9 | C10 | C5 | 0.1° | 0.4° |
| C9 | C8 | C7 | C6 | 1.4° | 0.1° |
| C9 | C8 | C7 | H12 | 178.6° | 179.8° |
| C10 | C9 | C8 | C7 | 0.9° | 0.4° |
| C9 | C10 | O1 | C5 | 179.9° | 179.4° |
| C9 | C10 | C5 | C6 | 0.2° | 0.1° |
| C9 | C10 | C5 | C | 178.8° | 179.5° |
| C8 | C7 | C6 | H12 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 1.0° | 0.1° |
| C7 | C8 | C9 | H10 | 179.1° | 179.6° |
| C8 | C7 | C6 | H11 | 179.0° | 179.9° |
| O1 | C10 | C5 | C6 | 179.8° | 179.6° |
| O1 | C10 | C5 | C | 1.2° | 0.1° |
| O1 | C10 | C9 | H10 | 0.1° | 1.0° |
| C10 | O1 | C11 | H13 | 145.8° | 14.8° |
| C10 | O1 | C11 | H14 | 25.5° | 134.8° |
| C10 | C5 | C6 | C7 | 0.2° | 0.1° |
| C10 | C5 | C6 | C | 178.6° | 179.7° |
| C10 | C5 | C | N | 1.8° | 179.6° |
| C10 | C5 | C | O | 179.5° | 0.3° |
| C5 | C10 | C9 | H10 | 179.9° | 179.6° |
| C10 | C5 | C6 | H11 | 179.8° | 179.9° |
| C7 | C6 | C5 | H11 | 180.0° | 180.0° |
| C7 | C6 | C5 | C | 178.4° | 179.8° |
| C6 | C5 | C | N | 176.8° | 0.0° |
| C6 | C5 | C | O | 1.9° | 180.0° |
| C5 | C6 | C7 | H12 | 179.0° | 179.9° |
| C5 | C | N | O | 178.6° | 179.9° |
| C5 | C | N | C1 | 165.0° | 180.0° |
| C | C5 | C6 | H11 | 1.6° | 0.2° |
| C5 | C | N | H24 | 15.0° | 0.1° |
| C | N | C1 | H24 | 180.0° | 179.9° |
| C | N | C1 | C3 | 174.9° | 180.0° |
| C | N | C1 | C4 | 65.8° | 60.0° |
| C | N | C1 | C2 | 55.5° | 59.9° |
| C1 | N | C | O | 13.6° | 0.1° |
| N | C1 | C3 | C4 | 119.0° | 119.9° |
| N | C1 | C3 | C2 | 120.1° | 120.1° |
| N | C1 | C4 | C2 | 122.1° | 120.0° |
| N | C1 | C2 | H1 | 180.0° | 180.0° |
| N | C1 | C2 | H2 | 60.0° | 60.1° |
| N | C1 | C2 | H3 | 60.0° | 59.9° |
| N | C1 | C3 | H4 | 180.0° | 60.0° |
| N | C1 | C3 | H5 | 60.0° | 60.1° |
| N | C1 | C3 | H6 | 60.0° | 180.0° |
| N | C1 | C4 | H7 | 180.0° | 60.0° |
| N | C1 | C4 | H8 | 60.0° | 60.0° |
| N | C1 | C4 | H9 | 60.0° | 179.9° |
| O | C | N | H24 | 166.4° | 180.0° |
| C3 | C1 | C4 | C2 | 120.9° | 120.1° |
| C3 | C1 | C2 | H1 | 62.6° | 60.0° |
| C3 | C1 | C2 | H2 | 177.3° | 60.0° |
| C3 | C1 | C2 | H3 | 57.3° | 180.0° |
| C1 | C3 | H4 | H5 | 120.0° | 120.1° |
| C1 | C3 | H4 | H6 | 120.0° | 120.0° |
| C1 | C3 | H5 | H6 | 120.0° | 119.9° |
| C3 | C1 | C4 | H7 | 63.1° | 179.9° |
| C3 | C1 | C4 | H8 | 57.0° | 59.9° |
| C3 | C1 | C4 | H9 | 176.9° | 60.0° |
| C3 | C1 | N | H24 | 5.1° | 0.1° |
| C4 | C1 | C2 | H1 | 58.6° | 60.1° |
| C4 | C1 | C2 | H2 | 61.4° | 180.0° |
| C4 | C1 | C2 | H3 | 178.6° | 60.0° |
| C4 | C1 | C3 | H4 | 61.0° | 60.0° |
| C4 | C1 | C3 | H5 | 179.0° | 180.0° |
| C4 | C1 | C3 | H6 | 59.0° | 60.0° |
| C1 | C4 | H7 | H8 | 120.0° | 120.0° |
| C1 | C4 | H7 | H9 | 120.0° | 120.1° |
| C1 | C4 | H8 | H9 | 120.0° | 119.9° |
| C4 | C1 | N | H24 | 114.2° | 120.1° |
| C1 | C2 | H1 | H2 | 120.0° | 119.9° |
| C1 | C2 | H1 | H3 | 120.0° | 120.1° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C2 | C1 | C3 | H4 | 59.9° | 180.0° |
| C2 | C1 | C3 | H5 | 60.1° | 60.0° |
| C2 | C1 | C3 | H6 | 179.9° | 60.0° |
| C2 | C1 | C4 | H7 | 57.9° | 60.0° |
| C2 | C1 | C4 | H8 | 177.9° | 180.0° |
| C2 | C1 | C4 | H9 | 62.1° | 60.1° |
| C2 | C1 | N | H24 | 124.5° | 120.0° |
| H1 | C2 | H2 | H3 | 120.0° | 120.0° |
| H4 | C3 | H5 | H6 | 120.0° | 120.0° |
| H7 | C4 | H8 | H9 | 120.0° | 120.0° |
| H11 | C6 | C7 | H12 | 1.0° | 0.1° |
| H13 | C11 | C12 | H15 | 111.3° | 84.7° |
| H13 | C11 | C12 | H16 | 8.9° | 155.3° |
| H14 | C11 | C12 | H15 | 128.3° | 155.3° |
| H14 | C11 | C12 | H16 | 111.5° | 35.3° |
| H17 | C13 | C14 | H19 | 59.0° | 64.9° |
| H17 | C13 | C14 | H20 | 178.0° | 174.8° |
| H18 | C13 | C14 | H19 | 61.0° | 175.0° |
| H18 | C13 | C14 | H20 | 57.9° | 54.7° |
| H19 | C14 | N1 | H25 | 11.9° | 7.3° |
| H20 | C14 | N1 | H25 | 107.0° | 127.7° |
| H22 | C19 | C20 | H23 | 0.9° | 0.7° |
