KI7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C | O | sing | 1.43Å | 1.42Å | |
| O | C1 | sing | 1.36Å | 1.37Å | |
| C3 | C4 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.49Å | |
| C4 | C7 | sing | 1.48Å | 1.50Å | |
| C4 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | O1 | sing | 1.36Å | 1.42Å | |
| C8 | C7 | sing | 1.40Å | 1.42Å | Aromatic |
| C8 | N | doub | 1.31Å | 1.33Å | Aromatic |
| C7 | C21 | doub | 1.40Å | 1.42Å | Aromatic |
| N | N1 | sing | 1.40Å | 1.37Å | Aromatic |
| O1 | S | sing | 1.52Å | 1.61Å | |
| C21 | N1 | sing | 1.37Å | 1.38Å | Aromatic |
| C21 | N3 | sing | 1.34Å | 1.35Å | Aromatic |
| N1 | C10 | sing | 1.37Å | 1.37Å | Aromatic |
| N3 | C19 | doub | 1.32Å | 1.33Å | Aromatic |
| C10 | N2 | sing | 1.38Å | 1.34Å | |
| C10 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| N2 | C11 | sing | 1.46Å | 1.46Å | |
| C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | C20 | sing | 1.51Å | 1.49Å | |
| C11 | C12 | sing | 1.51Å | 1.51Å | |
| O2 | S | doub | 1.42Å | 1.42Å | |
| S | O3 | doub | 1.42Å | 1.42Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | O4 | sing | 1.36Å | 1.43Å | |
| O6 | S1 | doub | 1.42Å | 1.41Å | |
| O4 | S1 | sing | 1.52Å | 1.65Å | |
| S1 | O5 | doub | 1.42Å | 1.41Å | |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| C18 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C3 | H18 | sing | 1.08Å | 1.08Å | |
| C2 | H19 | sing | 1.08Å | 1.08Å | |
| C | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| C | H24 | sing | 1.09Å | 1.10Å | |
| S1 | F1 | sing | 1.61Å | 1.63Å | |
| S | F2 | sing | 1.61Å | 1.59Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C2 | C1 | 119.9° | 120.1° |
| C2 | C3 | C4 | 120.9° | 120.0° |
| C2 | C3 | H18 | 119.5° | 120.0° |
| C3 | C2 | H19 | 120.0° | 119.9° |
| C2 | C1 | O | 125.5° | 119.9° |
| C2 | C1 | C6 | 119.7° | 120.1° |
| C1 | C2 | H19 | 120.1° | 120.0° |
| C | O | C1 | 118.2° | 117.0° |
| O | C | H22 | 109.5° | 109.5° |
| O | C | H23 | 109.5° | 109.5° |
| O | C | H24 | 109.5° | 109.5° |
| O | C1 | C6 | 114.8° | 120.0° |
| C3 | C4 | C7 | 121.1° | 120.1° |
| C3 | C4 | C5 | 119.0° | 119.9° |
| C4 | C3 | H18 | 119.5° | 120.0° |
| C1 | C6 | C5 | 120.0° | 120.0° |
| C1 | C6 | O1 | 117.5° | 120.0° |
| C9 | C8 | C7 | 128.3° | 125.6° |
| C9 | C8 | N | 118.2° | 125.6° |
| C8 | C9 | H15 | 109.5° | 109.5° |
| C8 | C9 | H16 | 109.5° | 109.5° |
| C8 | C9 | H17 | 109.5° | 109.4° |
| C7 | C4 | C5 | 119.9° | 120.0° |
| C4 | C7 | C8 | 128.8° | 126.3° |
| C4 | C7 | C21 | 127.6° | 126.4° |
| C4 | C5 | C6 | 120.4° | 119.9° |
| C4 | C5 | H1 | 119.8° | 120.1° |
| C5 | C6 | O1 | 122.4° | 120.0° |
| C6 | C5 | H1 | 119.8° | 120.1° |
| C6 | O1 | S | 123.7° | 114.0° |
| C7 | C8 | N | 113.5° | 108.8° |
| C8 | C7 | C21 | 103.6° | 107.3° |
| C8 | N | N1 | 104.7° | 109.2° |
| C7 | C21 | N1 | 106.0° | 106.7° |
| C7 | C21 | N3 | 131.8° | 132.5° |
| N | N1 | C21 | 112.2° | 108.0° |
| N | N1 | C10 | 125.0° | 132.4° |
| O1 | S | O2 | 105.2° | 106.4° |
| O1 | S | O3 | 106.7° | 106.4° |
| O1 | S | F2 | 106.8° | 107.2° |
| N1 | C21 | N3 | 122.2° | 120.8° |
| C21 | N1 | C10 | 122.8° | 119.6° |
| C21 | N3 | C19 | 116.4° | 121.2° |
| N1 | C10 | N2 | 119.6° | 120.6° |
| N1 | C10 | C18 | 114.3° | 118.9° |
| N3 | C19 | C18 | 123.0° | 120.3° |
| N3 | C19 | C20 | 117.0° | 119.8° |
| N2 | C10 | C18 | 126.1° | 120.5° |
| C10 | N2 | C11 | 121.6° | 120.0° |
| C10 | N2 | H13 | 106.4° | 120.0° |
| C10 | C18 | C19 | 121.3° | 119.2° |
| C10 | C18 | H14 | 119.4° | 120.4° |
| N2 | C11 | C12 | 115.7° | 109.5° |
| N2 | C11 | H11 | 107.9° | 109.5° |
| N2 | C11 | H12 | 107.9° | 109.5° |
| C11 | N2 | H13 | 106.4° | 120.0° |
| C18 | C19 | C20 | 120.1° | 119.8° |
| C19 | C18 | H14 | 119.3° | 120.4° |
| C19 | C20 | H4 | 109.5° | 109.4° |
| C19 | C20 | H5 | 109.5° | 109.4° |
| C19 | C20 | H6 | 109.4° | 109.5° |
| C11 | C12 | C13 | 120.2° | 120.0° |
| C11 | C12 | C17 | 121.4° | 119.9° |
| C12 | C11 | H11 | 107.9° | 109.5° |
| C12 | C11 | H12 | 107.9° | 109.5° |
| O2 | S | O3 | 122.5° | 123.2° |
| O2 | S | F2 | 107.0° | 106.4° |
| O3 | S | F2 | 107.7° | 106.4° |
| C13 | C12 | C17 | 118.4° | 120.2° |
| C12 | C13 | C14 | 121.2° | 120.0° |
| C12 | C13 | H2 | 119.4° | 119.9° |
| C12 | C17 | C16 | 121.1° | 120.0° |
| C12 | C17 | H3 | 119.5° | 120.0° |
| C13 | C14 | C15 | 119.7° | 119.9° |
| C14 | C13 | H2 | 119.4° | 120.0° |
| C13 | C14 | H9 | 120.1° | 120.0° |
| C17 | C16 | C15 | 119.9° | 120.0° |
| C16 | C17 | H3 | 119.5° | 120.0° |
| C17 | C16 | H10 | 120.1° | 120.0° |
| C14 | C15 | C16 | 119.8° | 119.9° |
| C14 | C15 | O4 | 120.2° | 120.0° |
| C15 | C14 | H9 | 120.1° | 120.0° |
| C16 | C15 | O4 | 120.0° | 120.1° |
| C15 | C16 | H10 | 120.1° | 120.0° |
| C15 | O4 | S1 | 120.3° | 114.0° |
| O6 | S1 | O4 | 104.7° | 106.4° |
| O6 | S1 | O5 | 117.2° | 123.1° |
| O6 | S1 | F1 | 109.3° | 106.4° |
| O4 | S1 | O5 | 107.6° | 106.4° |
| O4 | S1 | F1 | 103.1° | 107.2° |
| O5 | S1 | F1 | 113.5° | 106.4° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H4 | C20 | H6 | 109.4° | 109.5° |
| H5 | C20 | H6 | 109.5° | 109.5° |
| H11 | C11 | H12 | 109.4° | 109.4° |
| H15 | C9 | H16 | 109.5° | 109.5° |
| H15 | C9 | H17 | 109.4° | 109.4° |
| H16 | C9 | H17 | 109.5° | 109.5° |
| H22 | C | H23 | 109.4° | 109.5° |
| H22 | C | H24 | 109.5° | 109.4° |
| H23 | C | H24 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C2 | C1 | H19 | 180.0° | 180.0° |
| C3 | C2 | C1 | O | 177.6° | 180.0° |
| C2 | C3 | C4 | H18 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.9° | 0.3° |
| C2 | C3 | C4 | C7 | 179.1° | 180.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.3° |
| C2 | C1 | O | C | 36.0° | 0.1° |
| C2 | C1 | O | C6 | 178.6° | 179.7° |
| C1 | C2 | C3 | C4 | 1.3° | 0.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.3° |
| C2 | C1 | C6 | O1 | 177.8° | 179.8° |
| C1 | C2 | C3 | H18 | 178.7° | 180.0° |
| C | O | C1 | C6 | 145.4° | 179.8° |
| O | C | H22 | H23 | 120.0° | 120.0° |
| O | C | H22 | H24 | 120.0° | 120.0° |
| O | C | H23 | H24 | 120.0° | 120.0° |
| O | C1 | C6 | C5 | 178.7° | 180.0° |
| O | C1 | C6 | O1 | 0.8° | 0.1° |
| O | C1 | C2 | H19 | 2.4° | 0.1° |
| C1 | O | C | H22 | 180.0° | 60.0° |
| C1 | O | C | H23 | 60.0° | 60.0° |
| C1 | O | C | H24 | 60.0° | 179.9° |
| C3 | C4 | C7 | C5 | 178.3° | 179.7° |
| C3 | C4 | C5 | C6 | 0.3° | 0.3° |
| C3 | C4 | C7 | C8 | 19.3° | 115.2° |
| C3 | C4 | C7 | C21 | 157.5° | 64.7° |
| C3 | C4 | C5 | H1 | 179.7° | 179.7° |
| C4 | C3 | C2 | H19 | 178.7° | 179.9° |
| C1 | C6 | C5 | C4 | 0.7° | 0.0° |
| C1 | C6 | C5 | O1 | 177.8° | 179.9° |
| C1 | C6 | O1 | S | 125.6° | 90.0° |
| C1 | C6 | C5 | H1 | 179.4° | 180.0° |
| C6 | C1 | C2 | H19 | 179.1° | 179.8° |
| C9 | C8 | C7 | C4 | 7.0° | 0.0° |
| C9 | C8 | C7 | N | 177.1° | 179.8° |
| C9 | C8 | C7 | C21 | 175.5° | 179.9° |
| C9 | C8 | N | N1 | 176.3° | 180.0° |
| C8 | C9 | H15 | H16 | 120.0° | 120.0° |
| C8 | C9 | H15 | H17 | 120.0° | 120.0° |
| C8 | C9 | H16 | H17 | 120.0° | 120.0° |
| C7 | C4 | C5 | C6 | 178.1° | 180.0° |
| C4 | C7 | C8 | C21 | 177.4° | 179.9° |
| C4 | C7 | C8 | N | 175.9° | 179.8° |
| C4 | C7 | C21 | N1 | 176.2° | 180.0° |
| C4 | C7 | C21 | N3 | 5.6° | 0.1° |
| C7 | C4 | C5 | H1 | 1.9° | 0.0° |
| C7 | C4 | C3 | H18 | 0.9° | 0.0° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | O1 | 177.1° | 179.9° |
| C5 | C4 | C7 | C8 | 162.3° | 65.1° |
| C5 | C4 | C7 | C21 | 20.8° | 115.0° |
| C5 | C4 | C3 | H18 | 179.3° | 179.7° |
| C5 | C6 | O1 | S | 56.5° | 89.9° |
| C6 | O1 | S | O2 | 149.0° | 32.0° |
| C6 | O1 | S | O3 | 17.5° | 165.0° |
| O1 | C6 | C5 | H1 | 2.9° | 0.1° |
| C6 | O1 | S | F2 | 97.5° | 81.5° |
| C7 | C8 | N | N1 | 1.1° | 0.2° |
| C8 | C7 | C21 | N1 | 1.3° | 0.2° |
| C8 | C7 | C21 | N3 | 176.9° | 180.0° |
| C7 | C8 | C9 | H15 | 177.0° | 90.0° |
| C7 | C8 | C9 | H16 | 56.9° | 150.0° |
| C7 | C8 | C9 | H17 | 63.0° | 30.0° |
| N | C8 | C7 | C21 | 1.6° | 0.0° |
| C8 | N | N1 | C21 | 0.2° | 0.3° |
| C8 | N | N1 | C10 | 178.2° | 180.0° |
| N | C8 | C9 | H15 | 0.0° | 90.2° |
| N | C8 | C9 | H16 | 120.0° | 29.8° |
| N | C8 | C9 | H17 | 120.0° | 149.8° |
| C7 | C21 | N1 | N | 0.8° | 0.3° |
| C7 | C21 | N1 | N3 | 178.4° | 179.9° |
| C7 | C21 | N1 | C10 | 179.2° | 180.0° |
| C7 | C21 | N3 | C19 | 178.5° | 180.0° |
| N | N1 | C21 | C10 | 178.4° | 179.7° |
| N | N1 | C21 | N3 | 177.6° | 179.8° |
| N | N1 | C10 | N2 | 2.7° | 0.4° |
| N | N1 | C10 | C18 | 177.9° | 179.7° |
| O1 | S | O2 | O3 | 121.8° | 122.9° |
| O1 | S | O2 | F2 | 113.3° | 114.1° |
| O1 | S | O3 | F2 | 114.4° | 114.1° |
| N1 | C21 | N3 | C19 | 0.5° | 0.2° |
| C21 | N1 | C10 | N2 | 179.2° | 180.0° |
| C21 | N1 | C10 | C18 | 0.3° | 0.1° |
| N3 | C21 | N1 | C10 | 0.8° | 0.1° |
| C21 | N3 | C19 | C18 | 0.1° | 0.2° |
| C21 | N3 | C19 | C20 | 179.5° | 180.0° |
| N1 | C10 | N2 | C18 | 179.4° | 179.9° |
| N1 | C10 | N2 | C11 | 175.8° | 180.0° |
| N1 | C10 | C18 | C19 | 0.3° | 0.1° |
| N1 | C10 | N2 | H13 | 62.5° | 0.0° |
| N1 | C10 | C18 | H14 | 179.7° | 180.0° |
| N3 | C19 | C18 | C10 | 0.5° | 0.1° |
| N3 | C19 | C18 | C20 | 179.6° | 179.8° |
| N3 | C19 | C20 | H4 | 0.0° | 0.1° |
| N3 | C19 | C20 | H5 | 120.0° | 120.1° |
| N3 | C19 | C20 | H6 | 120.0° | 120.0° |
| N3 | C19 | C18 | H14 | 179.5° | 180.0° |
| C10 | N2 | C11 | H13 | 121.7° | 180.0° |
| N2 | C10 | C18 | C19 | 179.7° | 180.0° |
| C10 | N2 | C11 | C12 | 96.8° | 180.0° |
| C10 | N2 | C11 | H11 | 142.2° | 60.0° |
| C10 | N2 | C11 | H12 | 24.1° | 60.0° |
| N2 | C10 | C18 | H14 | 0.3° | 0.1° |
| C18 | C10 | N2 | C11 | 3.6° | 0.1° |
| C10 | C18 | C19 | H14 | 180.0° | 179.9° |
| C10 | C18 | C19 | C20 | 179.1° | 180.0° |
| C18 | C10 | N2 | H13 | 118.1° | 179.9° |
| N2 | C11 | C12 | H11 | 120.9° | 120.0° |
| N2 | C11 | C12 | H12 | 120.9° | 120.0° |
| N2 | C11 | C12 | C13 | 142.5° | 90.0° |
| N2 | C11 | C12 | C17 | 36.5° | 90.0° |
| N2 | C11 | H11 | H12 | 117.2° | 120.0° |
| C18 | C19 | C20 | H4 | 179.6° | 179.9° |
| C18 | C19 | C20 | H5 | 59.6° | 60.1° |
| C18 | C19 | C20 | H6 | 60.4° | 59.9° |
| C19 | C20 | H4 | H5 | 120.0° | 119.9° |
| C19 | C20 | H4 | H6 | 120.0° | 120.0° |
| C19 | C20 | H5 | H6 | 120.0° | 120.0° |
| C20 | C19 | C18 | H14 | 0.9° | 0.1° |
| C11 | C12 | C13 | C17 | 179.1° | 180.0° |
| C11 | C12 | C13 | C14 | 178.5° | 180.0° |
| C11 | C12 | C17 | C16 | 178.4° | 179.4° |
| C11 | C12 | C13 | H2 | 1.5° | 0.3° |
| C11 | C12 | C17 | H3 | 1.6° | 0.3° |
| C12 | C11 | H11 | H12 | 117.1° | 120.0° |
| C12 | C11 | N2 | H13 | 24.8° | 0.0° |
| O2 | S | O3 | F2 | 124.5° | 123.0° |
| C12 | C13 | C14 | H2 | 180.0° | 179.7° |
| C13 | C12 | C17 | C16 | 0.6° | 0.6° |
| C12 | C13 | C14 | C15 | 0.3° | 0.3° |
| C13 | C12 | C17 | H3 | 179.3° | 179.7° |
| C12 | C13 | C14 | H9 | 179.7° | 179.7° |
| C13 | C12 | C11 | H11 | 21.6° | 150.0° |
| C13 | C12 | C11 | H12 | 96.6° | 30.0° |
| C17 | C12 | C13 | C14 | 0.6° | 0.0° |
| C12 | C17 | C16 | H3 | 180.0° | 179.1° |
| C12 | C17 | C16 | C15 | 0.3° | 0.8° |
| C17 | C12 | C13 | H2 | 179.4° | 179.7° |
| C12 | C17 | C16 | H10 | 179.7° | 179.2° |
| C17 | C12 | C11 | H11 | 157.4° | 30.0° |
| C17 | C12 | C11 | H12 | 84.4° | 150.0° |
| C13 | C14 | C15 | H9 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C13 | C14 | C15 | O4 | 179.8° | 180.0° |
| C17 | C16 | C15 | C14 | 0.0° | 0.6° |
| C17 | C16 | C15 | H10 | 180.0° | 180.0° |
| C17 | C16 | C15 | O4 | 179.8° | 179.4° |
| C14 | C15 | C16 | O4 | 179.9° | 180.0° |
| C14 | C15 | O4 | S1 | 92.7° | 90.0° |
| C15 | C14 | C13 | H2 | 179.8° | 180.0° |
| C14 | C15 | C16 | H10 | 180.0° | 179.5° |
| C16 | C15 | O4 | S1 | 87.4° | 90.0° |
| C15 | C16 | C17 | H3 | 179.7° | 180.0° |
| C16 | C15 | C14 | H9 | 180.0° | 180.0° |
| C15 | O4 | S1 | O6 | 13.2° | 165.0° |
| C15 | O4 | S1 | O5 | 138.6° | 32.1° |
| O4 | C15 | C14 | H9 | 0.2° | 0.0° |
| O4 | C15 | C16 | H10 | 0.2° | 0.5° |
| C15 | O4 | S1 | F1 | 101.2° | 81.5° |
| O6 | S1 | O4 | O5 | 125.4° | 132.9° |
| O6 | S1 | O4 | F1 | 114.4° | 113.5° |
| O6 | S1 | O5 | F1 | 129.0° | 123.0° |
| O4 | S1 | O5 | F1 | 113.4° | 114.1° |
| H2 | C13 | C14 | H9 | 0.2° | 0.0° |
| H3 | C17 | C16 | H10 | 0.3° | 0.1° |
| H4 | C20 | H5 | H6 | 120.0° | 120.1° |
| H11 | C11 | N2 | H13 | 96.1° | 120.0° |
| H12 | C11 | N2 | H13 | 145.8° | 120.0° |
| H15 | C9 | H16 | H17 | 120.0° | 120.0° |
| H18 | C3 | C2 | H19 | 1.3° | 0.1° |
| H22 | C | H23 | H24 | 120.0° | 120.0° |
