K3F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.41Å | 1.43Å | Aromatic |
| C1 | N3 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C4 | sing | 1.39Å | 1.37Å | Aromatic |
| C2 | N5 | sing | 1.36Å | 1.39Å | Aromatic |
| C2 | C6 | sing | 1.40Å | 1.42Å | Aromatic |
| N3 | C7 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| N5 | C7 | doub | 1.31Å | 1.31Å | Aromatic |
| C6 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C10 | sing | 1.48Å | 1.46Å | |
| C8 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| C9 | N11 | sing | 1.40Å | 1.40Å | |
| C10 | C12 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| N11 | C14 | sing | 1.35Å | 1.32Å | |
| C12 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C17 | sing | 1.47Å | 1.47Å | |
| C14 | O18 | doub | 1.22Å | 1.20Å | |
| C15 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | N21 | sing | 1.37Å | 1.34Å | Aromatic |
| C20 | C22 | sing | 1.40Å | 1.37Å | Aromatic |
| C20 | CL23 | sing | 1.74Å | 1.76Å | |
| N21 | N24 | sing | 1.28Å | 1.28Å | Aromatic |
| N21 | C25 | sing | 1.47Å | 1.47Å | |
| C22 | N24 | doub | 1.31Å | 1.31Å | Aromatic |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| N11 | H9 | sing | 0.97Å | 1.00Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C19 | H12 | sing | 1.08Å | 1.08Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N3 | 107.3° | 106.2° |
| C2 | C1 | C4 | 121.8° | 120.1° |
| C1 | C2 | N5 | 106.1° | 107.2° |
| C1 | C2 | C6 | 122.0° | 119.5° |
| N3 | C1 | C4 | 130.7° | 133.8° |
| C1 | N3 | C7 | 106.0° | 107.2° |
| C1 | N3 | H1 | 127.0° | 126.4° |
| C1 | C4 | C8 | 115.6° | 120.0° |
| C1 | C4 | H2 | 122.2° | 120.0° |
| N5 | C2 | C6 | 131.9° | 133.3° |
| C2 | N5 | C7 | 108.9° | 109.6° |
| C2 | C6 | C9 | 116.2° | 119.7° |
| C2 | C6 | H3 | 121.9° | 120.2° |
| N3 | C7 | N5 | 111.5° | 109.8° |
| N3 | C7 | C10 | 123.7° | 125.1° |
| C7 | N3 | H1 | 127.0° | 126.4° |
| C4 | C8 | C9 | 123.8° | 120.4° |
| C8 | C4 | H2 | 122.2° | 120.0° |
| C4 | C8 | H4 | 118.1° | 119.8° |
| N5 | C7 | C10 | 124.7° | 125.1° |
| C6 | C9 | C8 | 120.5° | 120.4° |
| C6 | C9 | N11 | 124.6° | 119.8° |
| C9 | C6 | H3 | 121.9° | 120.1° |
| C7 | C10 | C12 | 119.9° | 120.1° |
| C7 | C10 | C13 | 118.7° | 120.2° |
| C8 | C9 | N11 | 114.8° | 119.8° |
| C9 | C8 | H4 | 118.1° | 119.8° |
| C9 | N11 | C14 | 125.0° | 120.0° |
| C9 | N11 | H9 | 117.5° | 120.0° |
| C12 | C10 | C13 | 121.4° | 119.7° |
| C10 | C12 | C15 | 122.0° | 119.8° |
| C10 | C12 | H10 | 119.0° | 120.1° |
| C10 | C13 | C16 | 115.7° | 119.9° |
| C10 | C13 | H5 | 122.2° | 120.0° |
| N11 | C14 | C17 | 117.1° | 120.0° |
| N11 | C14 | O18 | 117.8° | 120.0° |
| C14 | N11 | H9 | 117.5° | 120.0° |
| C12 | C15 | C19 | 116.7° | 120.1° |
| C12 | C15 | H6 | 121.7° | 119.8° |
| C15 | C12 | H10 | 119.0° | 120.1° |
| C13 | C16 | C19 | 121.7° | 120.1° |
| C16 | C13 | H5 | 122.2° | 120.1° |
| C13 | C16 | H11 | 119.1° | 119.9° |
| C17 | C14 | O18 | 125.1° | 120.0° |
| C14 | C17 | C20 | 127.9° | 126.9° |
| C14 | C17 | N21 | 126.2° | 126.9° |
| C15 | C19 | C16 | 122.5° | 120.3° |
| C19 | C15 | H6 | 121.6° | 120.0° |
| C15 | C19 | H12 | 118.7° | 119.9° |
| C19 | C16 | H11 | 119.1° | 120.0° |
| C16 | C19 | H12 | 118.7° | 119.8° |
| C20 | C17 | N21 | 105.9° | 106.2° |
| C17 | C20 | C22 | 106.5° | 105.3° |
| C17 | C20 | CL23 | 129.1° | 127.4° |
| C17 | N21 | N24 | 109.0° | 109.7° |
| C17 | N21 | C25 | 126.7° | 125.2° |
| C22 | C20 | CL23 | 124.4° | 127.3° |
| C20 | C22 | N24 | 106.5° | 107.8° |
| C20 | C22 | H7 | 126.7° | 126.1° |
| N24 | N21 | C25 | 124.3° | 125.2° |
| N21 | N24 | C22 | 112.0° | 111.0° |
| N21 | C25 | H13 | 109.5° | 109.5° |
| N21 | C25 | H14 | 109.5° | 109.5° |
| N21 | C25 | H15 | 109.5° | 109.5° |
| N24 | C22 | H7 | 126.8° | 126.0° |
| H13 | C25 | H14 | 109.4° | 109.5° |
| H13 | C25 | H15 | 109.5° | 109.4° |
| H14 | C25 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N3 | C4 | 176.8° | 179.7° |
| C1 | C2 | N5 | C6 | 179.8° | 179.7° |
| C2 | C1 | N3 | C7 | 1.8° | 0.0° |
| C2 | C1 | C4 | C8 | 1.9° | 0.0° |
| C1 | C2 | N5 | C7 | 2.2° | 0.4° |
| C1 | C2 | C6 | C9 | 0.4° | 0.0° |
| C2 | C1 | N3 | H1 | 178.2° | 179.8° |
| C2 | C1 | C4 | H2 | 178.1° | 180.0° |
| C1 | C2 | C6 | H3 | 179.6° | 179.5° |
| N3 | C1 | C2 | N5 | 2.5° | 0.2° |
| N3 | C1 | C2 | C6 | 177.7° | 180.0° |
| C1 | N3 | C7 | H1 | 180.0° | 179.8° |
| N3 | C1 | C4 | C8 | 178.2° | 179.7° |
| C1 | N3 | C7 | N5 | 0.5° | 0.2° |
| C1 | N3 | C7 | C10 | 179.3° | 179.7° |
| N3 | C1 | C4 | H2 | 1.8° | 0.3° |
| C4 | C1 | C2 | N5 | 179.6° | 180.0° |
| C4 | C1 | C2 | C6 | 0.6° | 0.2° |
| C4 | C1 | N3 | C7 | 178.6° | 179.7° |
| C1 | C4 | C8 | H2 | 180.0° | 180.0° |
| C1 | C4 | C8 | C9 | 2.4° | 0.4° |
| C4 | C1 | N3 | H1 | 1.4° | 0.1° |
| C1 | C4 | C8 | H4 | 177.6° | 180.0° |
| C2 | N5 | C7 | N3 | 1.1° | 0.4° |
| N5 | C2 | C6 | C9 | 179.4° | 179.7° |
| C2 | N5 | C7 | C10 | 177.7° | 179.6° |
| N5 | C2 | C6 | H3 | 0.6° | 0.2° |
| C6 | C2 | N5 | C7 | 178.0° | 179.9° |
| C2 | C6 | C9 | H3 | 180.0° | 179.5° |
| C2 | C6 | C9 | C8 | 0.1° | 0.5° |
| C2 | C6 | C9 | N11 | 179.8° | 179.5° |
| N3 | C7 | N5 | C10 | 178.7° | 180.0° |
| N3 | C7 | C10 | C12 | 169.5° | 180.0° |
| N3 | C7 | C10 | C13 | 9.1° | 0.3° |
| C4 | C8 | C9 | C6 | 1.5° | 0.7° |
| C4 | C8 | C9 | H4 | 180.0° | 179.6° |
| C4 | C8 | C9 | N11 | 178.3° | 179.2° |
| N5 | C7 | C10 | C12 | 9.1° | 0.0° |
| N5 | C7 | C10 | C13 | 172.3° | 179.7° |
| N5 | C7 | N3 | H1 | 179.5° | 180.0° |
| C6 | C9 | C8 | N11 | 179.9° | 179.9° |
| C6 | C9 | N11 | C14 | 10.7° | 146.1° |
| C6 | C9 | C8 | H4 | 178.4° | 179.7° |
| C6 | C9 | N11 | H9 | 169.4° | 33.9° |
| C7 | C10 | C12 | C13 | 178.5° | 179.7° |
| C7 | C10 | C12 | C15 | 178.4° | 180.0° |
| C7 | C10 | C13 | C16 | 179.7° | 180.0° |
| C10 | C7 | N3 | H1 | 0.7° | 0.0° |
| C7 | C10 | C13 | H5 | 0.3° | 0.1° |
| C7 | C10 | C12 | H10 | 1.6° | 0.1° |
| C8 | C9 | N11 | C14 | 169.5° | 33.9° |
| C9 | C8 | C4 | H2 | 177.6° | 179.5° |
| C8 | C9 | C6 | H3 | 179.9° | 180.0° |
| C8 | C9 | N11 | H9 | 10.5° | 146.2° |
| C9 | N11 | C14 | H9 | 180.0° | 180.0° |
| C9 | N11 | C14 | C17 | 178.8° | 174.7° |
| C9 | N11 | C14 | O18 | 0.8° | 5.2° |
| N11 | C9 | C6 | H3 | 0.2° | 0.0° |
| N11 | C9 | C8 | H4 | 1.7° | 0.3° |
| C10 | C12 | C15 | H10 | 180.0° | 179.9° |
| C12 | C10 | C13 | C16 | 1.8° | 0.3° |
| C10 | C12 | C15 | C19 | 1.8° | 0.0° |
| C12 | C10 | C13 | H5 | 178.2° | 179.8° |
| C10 | C12 | C15 | H6 | 178.3° | 179.7° |
| C13 | C10 | C12 | C15 | 0.1° | 0.3° |
| C10 | C13 | C16 | H5 | 180.0° | 179.9° |
| C10 | C13 | C16 | C19 | 2.0° | 0.0° |
| C13 | C10 | C12 | H10 | 180.0° | 179.7° |
| C10 | C13 | C16 | H11 | 178.0° | 180.0° |
| N11 | C14 | C17 | O18 | 179.6° | 179.9° |
| N11 | C14 | C17 | C20 | 35.0° | 171.5° |
| N11 | C14 | C17 | N21 | 143.2° | 8.2° |
| C12 | C15 | C19 | H6 | 180.0° | 179.7° |
| C12 | C15 | C19 | C16 | 1.6° | 0.4° |
| C12 | C15 | C19 | H12 | 178.4° | 180.0° |
| C13 | C16 | C19 | C15 | 0.3° | 0.4° |
| C13 | C16 | C19 | H11 | 180.0° | 179.9° |
| C13 | C16 | C19 | H12 | 179.6° | 180.0° |
| C14 | C17 | C20 | N21 | 178.6° | 179.8° |
| C14 | C17 | C20 | C22 | 179.6° | 179.8° |
| C14 | C17 | C20 | CL23 | 0.7° | 0.2° |
| C14 | C17 | N21 | N24 | 179.2° | 179.8° |
| C14 | C17 | N21 | C25 | 0.6° | 0.3° |
| C17 | C14 | N11 | H9 | 1.2° | 5.3° |
| O18 | C14 | C17 | C20 | 144.5° | 8.3° |
| O18 | C14 | C17 | N21 | 37.2° | 172.0° |
| O18 | C14 | N11 | H9 | 179.2° | 174.8° |
| C15 | C19 | C16 | H12 | 180.0° | 179.6° |
| C19 | C15 | C12 | H10 | 178.3° | 180.0° |
| C15 | C19 | C16 | H11 | 179.7° | 179.7° |
| C19 | C16 | C13 | H5 | 178.0° | 179.9° |
| C16 | C19 | C15 | H6 | 178.4° | 179.9° |
| C17 | C20 | C22 | CL23 | 179.0° | 180.0° |
| C20 | C17 | N21 | N24 | 0.6° | 0.0° |
| C20 | C17 | N21 | C25 | 178.0° | 180.0° |
| C17 | C20 | C22 | N24 | 1.2° | 0.0° |
| C17 | C20 | C22 | H7 | 178.8° | 179.9° |
| N21 | C17 | C20 | C22 | 1.1° | 0.0° |
| N21 | C17 | C20 | CL23 | 177.9° | 180.0° |
| C17 | N21 | N24 | C25 | 178.6° | 179.9° |
| C17 | N21 | N24 | C22 | 0.1° | 0.0° |
| C17 | N21 | C25 | H13 | 178.4° | 80.8° |
| C17 | N21 | C25 | H14 | 61.6° | 159.2° |
| C17 | N21 | C25 | H15 | 58.4° | 39.2° |
| C20 | C22 | N24 | N21 | 0.8° | 0.0° |
| C20 | C22 | N24 | H7 | 180.0° | 179.9° |
| CL23 | C20 | C22 | N24 | 177.8° | 180.0° |
| CL23 | C20 | C22 | H7 | 2.2° | 0.1° |
| N21 | N24 | C22 | H7 | 179.2° | 179.9° |
| N24 | N21 | C25 | H13 | 0.0° | 99.3° |
| N24 | N21 | C25 | H14 | 120.0° | 20.7° |
| N24 | N21 | C25 | H15 | 120.0° | 140.7° |
| C25 | N21 | N24 | C22 | 178.8° | 180.0° |
| N21 | C25 | H13 | H14 | 120.0° | 120.0° |
| N21 | C25 | H13 | H15 | 120.0° | 120.0° |
| N21 | C25 | H14 | H15 | 120.0° | 120.0° |
| H2 | C4 | C8 | H4 | 2.4° | 0.1° |
| H5 | C13 | C16 | H11 | 2.0° | 0.0° |
| H6 | C15 | C12 | H10 | 1.7° | 0.3° |
| H6 | C15 | C19 | H12 | 1.5° | 0.3° |
| H11 | C16 | C19 | H12 | 0.3° | 0.1° |
| H13 | C25 | H14 | H15 | 120.0° | 120.0° |
