KF9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | doub | 1.32Å | 1.30Å | |
| C1 | C12 | sing | 1.47Å | 1.48Å | |
| C1 | C3 | sing | 1.48Å | 1.47Å | |
| N2 | N4 | sing | 1.28Å | 1.28Å | |
| C3 | N5 | sing | 1.37Å | 1.38Å | Aromatic |
| C3 | C17 | doub | 1.38Å | 1.37Å | Aromatic |
| N4 | C14 | sing | 1.35Å | 1.35Å | |
| N4 | C8 | sing | 1.40Å | 1.40Å | |
| N5 | C16 | sing | 1.40Å | 1.42Å | |
| N5 | N11 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C8 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | O9 | sing | 1.37Å | 1.37Å | |
| C7 | O9 | sing | 1.44Å | 1.44Å | |
| C7 | O10 | sing | 1.44Å | 1.44Å | |
| C7 | F23 | sing | 1.40Å | 1.40Å | |
| C7 | F24 | sing | 1.40Å | 1.39Å | |
| C8 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| O10 | C13 | sing | 1.37Å | 1.37Å | |
| N11 | C20 | doub | 1.31Å | 1.31Å | Aromatic |
| C12 | C15 | sing | 1.42Å | 1.41Å | |
| C12 | O22 | doub | 1.22Å | 1.21Å | |
| C13 | C27 | doub | 1.39Å | 1.39Å | Aromatic |
| C14 | C15 | doub | 1.36Å | 1.36Å | |
| C16 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| N18 | C19 | trip | 1.14Å | 1.14Å | |
| C19 | C25 | sing | 1.43Å | 1.44Å | |
| C21 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C31 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C30 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C27 | H8 | sing | 1.08Å | 1.08Å | |
| C29 | H9 | sing | 1.08Å | 1.08Å | |
| C30 | H10 | sing | 1.08Å | 1.08Å | |
| C31 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C12 | 118.1° | 118.8° |
| N2 | C1 | C3 | 117.2° | 120.7° |
| C1 | N2 | N4 | 122.8° | 122.1° |
| C12 | C1 | C3 | 124.8° | 120.6° |
| C1 | C12 | C15 | 117.8° | 117.1° |
| C1 | C12 | O22 | 122.1° | 121.4° |
| C1 | C3 | N5 | 126.8° | 126.4° |
| C1 | C3 | C17 | 125.5° | 126.5° |
| N2 | N4 | C14 | 123.3° | 123.3° |
| N2 | N4 | C8 | 115.0° | 118.3° |
| N5 | C3 | C17 | 107.8° | 107.1° |
| C3 | N5 | C16 | 127.8° | 126.1° |
| C3 | N5 | N11 | 106.7° | 107.8° |
| C3 | C17 | C20 | 107.0° | 107.7° |
| C3 | C17 | H2 | 126.5° | 126.2° |
| C14 | N4 | C8 | 121.7° | 118.3° |
| N4 | C14 | C15 | 120.9° | 120.8° |
| N4 | C14 | H7 | 119.6° | 119.6° |
| N4 | C8 | C6 | 120.5° | 120.1° |
| N4 | C8 | C26 | 119.8° | 120.0° |
| C16 | N5 | N11 | 125.4° | 126.1° |
| N5 | C16 | C28 | 119.2° | 120.0° |
| N5 | C16 | C21 | 121.9° | 120.0° |
| N5 | N11 | C20 | 108.9° | 108.7° |
| C8 | C6 | C13 | 120.2° | 119.7° |
| C8 | C6 | O9 | 130.0° | 131.6° |
| C6 | C8 | C26 | 119.7° | 119.9° |
| C13 | C6 | O9 | 109.8° | 108.7° |
| C6 | C13 | O10 | 108.6° | 108.6° |
| C6 | C13 | C27 | 119.9° | 119.9° |
| C6 | O9 | C7 | 107.4° | 105.5° |
| O9 | C7 | O10 | 105.5° | 103.8° |
| O9 | C7 | F23 | 112.1° | 110.6° |
| O9 | C7 | F24 | 108.2° | 110.5° |
| O10 | C7 | F23 | 110.8° | 110.7° |
| O10 | C7 | F24 | 112.2° | 110.4° |
| C7 | O10 | C13 | 107.8° | 105.5° |
| F23 | C7 | F24 | 108.1° | 110.7° |
| C8 | C26 | C29 | 120.3° | 120.0° |
| C8 | C26 | H5 | 119.8° | 120.0° |
| O10 | C13 | C27 | 131.4° | 131.5° |
| N11 | C20 | C17 | 109.6° | 108.7° |
| N11 | C20 | H3 | 125.2° | 125.6° |
| C15 | C12 | O22 | 120.1° | 121.4° |
| C12 | C15 | C14 | 117.1° | 117.8° |
| C12 | C15 | H1 | 121.5° | 121.1° |
| C13 | C27 | C29 | 119.7° | 120.2° |
| C13 | C27 | H8 | 120.2° | 119.9° |
| C14 | C15 | H1 | 121.5° | 121.1° |
| C15 | C14 | H7 | 119.6° | 119.6° |
| C28 | C16 | C21 | 118.9° | 120.0° |
| C16 | C28 | C30 | 121.5° | 120.2° |
| C16 | C28 | H6 | 119.3° | 119.8° |
| C16 | C21 | C25 | 120.0° | 119.8° |
| C16 | C21 | H4 | 120.0° | 120.1° |
| C20 | C17 | H2 | 126.5° | 126.1° |
| C17 | C20 | H3 | 125.2° | 125.7° |
| N18 | C19 | C25 | 179.5° | 180.0° |
| C19 | C25 | C21 | 120.6° | 120.2° |
| C19 | C25 | C31 | 119.1° | 120.1° |
| C21 | C25 | C31 | 120.3° | 119.7° |
| C25 | C21 | H4 | 120.0° | 120.1° |
| C25 | C31 | C30 | 119.4° | 120.0° |
| C25 | C31 | H11 | 120.3° | 120.0° |
| C26 | C29 | C27 | 120.1° | 120.2° |
| C29 | C26 | H5 | 119.8° | 120.0° |
| C26 | C29 | H9 | 119.9° | 119.9° |
| C29 | C27 | H8 | 120.1° | 119.9° |
| C27 | C29 | H9 | 120.0° | 119.9° |
| C28 | C30 | C31 | 120.0° | 120.3° |
| C30 | C28 | H6 | 119.3° | 119.9° |
| C28 | C30 | H10 | 120.0° | 119.8° |
| C31 | C30 | H10 | 120.0° | 119.9° |
| C30 | C31 | H11 | 120.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C12 | C3 | 178.3° | 179.8° |
| N2 | C1 | C3 | N5 | 31.3° | 39.6° |
| N2 | C1 | C3 | C17 | 146.7° | 140.3° |
| C1 | N2 | N4 | C14 | 0.2° | 0.3° |
| C1 | N2 | N4 | C8 | 178.8° | 179.9° |
| N2 | C1 | C12 | C15 | 1.0° | 0.0° |
| N2 | C1 | C12 | O22 | 178.6° | 180.0° |
| C12 | C1 | N2 | N4 | 0.9° | 0.3° |
| C12 | C1 | C3 | N5 | 150.4° | 140.6° |
| C12 | C1 | C3 | C17 | 31.6° | 39.5° |
| C1 | C12 | C15 | O22 | 179.6° | 180.0° |
| C1 | C12 | C15 | C14 | 0.4° | 0.2° |
| C1 | C12 | C15 | H1 | 179.6° | 180.0° |
| C3 | C1 | N2 | N4 | 179.3° | 180.0° |
| C1 | C3 | N5 | C17 | 178.2° | 179.9° |
| C1 | C3 | N5 | C16 | 2.5° | 0.1° |
| C1 | C3 | N5 | N11 | 179.8° | 179.7° |
| C3 | C1 | C12 | C15 | 179.3° | 179.8° |
| C3 | C1 | C12 | O22 | 0.3° | 0.2° |
| C1 | C3 | C17 | C20 | 179.0° | 179.9° |
| C1 | C3 | C17 | H2 | 1.0° | 0.3° |
| N2 | N4 | C14 | C8 | 178.9° | 179.6° |
| N2 | N4 | C8 | C6 | 139.1° | 55.0° |
| N2 | N4 | C8 | C26 | 39.6° | 125.0° |
| N2 | N4 | C14 | C15 | 0.5° | 0.1° |
| N2 | N4 | C14 | H7 | 179.5° | 180.0° |
| C3 | N5 | C16 | N11 | 177.3° | 179.7° |
| C3 | N5 | N11 | C20 | 1.8° | 0.4° |
| C3 | N5 | C16 | C28 | 62.6° | 42.6° |
| C3 | N5 | C16 | C21 | 117.8° | 137.5° |
| N5 | C3 | C17 | C20 | 0.7° | 0.0° |
| N5 | C3 | C17 | H2 | 179.2° | 179.8° |
| C17 | C3 | N5 | C16 | 179.2° | 180.0° |
| C17 | C3 | N5 | N11 | 1.5° | 0.2° |
| C3 | C17 | C20 | N11 | 0.4° | 0.2° |
| C3 | C17 | C20 | H2 | 180.0° | 179.8° |
| C3 | C17 | C20 | H3 | 179.6° | 179.7° |
| C14 | N4 | C8 | C6 | 41.9° | 124.7° |
| C14 | N4 | C8 | C26 | 139.3° | 55.4° |
| N4 | C14 | C15 | C12 | 0.3° | 0.1° |
| N4 | C14 | C15 | H7 | 180.0° | 179.9° |
| N4 | C14 | C15 | H1 | 179.7° | 180.0° |
| N4 | C8 | C6 | C26 | 178.7° | 180.0° |
| N4 | C8 | C6 | C13 | 179.2° | 180.0° |
| N4 | C8 | C6 | O9 | 0.6° | 0.3° |
| C8 | N4 | C14 | C15 | 179.4° | 179.7° |
| N4 | C8 | C26 | C29 | 179.7° | 180.0° |
| N4 | C8 | C26 | H5 | 0.3° | 0.0° |
| C8 | N4 | C14 | H7 | 0.6° | 0.4° |
| C16 | N5 | N11 | C20 | 179.6° | 179.8° |
| N5 | C16 | C28 | C21 | 179.6° | 180.0° |
| N5 | C16 | C21 | C25 | 179.5° | 180.0° |
| N5 | C16 | C28 | C30 | 179.9° | 179.5° |
| N5 | C16 | C21 | H4 | 0.5° | 0.3° |
| N5 | C16 | C28 | H6 | 0.1° | 0.3° |
| N11 | N5 | C16 | C28 | 114.7° | 137.7° |
| N11 | N5 | C16 | C21 | 64.9° | 42.3° |
| N5 | N11 | C20 | C17 | 1.4° | 0.4° |
| N5 | N11 | C20 | H3 | 178.6° | 179.6° |
| C8 | C6 | C13 | O9 | 179.8° | 179.8° |
| C8 | C6 | O9 | C7 | 173.9° | 162.7° |
| C8 | C6 | C13 | O10 | 179.8° | 180.0° |
| C8 | C6 | C13 | C27 | 0.5° | 0.0° |
| C6 | C8 | C26 | C29 | 1.0° | 0.0° |
| C6 | C8 | C26 | H5 | 179.0° | 180.0° |
| C13 | C6 | O9 | C7 | 5.9° | 17.0° |
| C6 | C13 | O10 | C7 | 6.0° | 17.4° |
| C13 | C6 | C8 | C26 | 0.5° | 0.0° |
| C6 | C13 | O10 | C27 | 179.6° | 180.0° |
| C6 | C13 | C27 | C29 | 1.0° | 0.1° |
| C6 | C13 | C27 | H8 | 179.0° | 179.9° |
| C6 | O9 | C7 | O10 | 9.3° | 26.9° |
| C6 | O9 | C7 | F23 | 111.5° | 145.6° |
| C6 | O9 | C7 | F24 | 129.5° | 91.5° |
| O9 | C6 | C8 | C26 | 179.3° | 179.7° |
| O9 | C6 | C13 | O10 | 0.0° | 0.2° |
| O9 | C6 | C13 | C27 | 179.7° | 179.8° |
| O9 | C7 | O10 | F23 | 121.6° | 118.7° |
| O9 | C7 | O10 | F24 | 117.5° | 118.5° |
| O9 | C7 | F23 | F24 | 119.1° | 122.8° |
| O9 | C7 | O10 | C13 | 9.3° | 27.1° |
| O10 | C7 | F23 | F24 | 123.3° | 122.7° |
| C7 | O10 | C13 | C27 | 174.4° | 162.6° |
| F23 | C7 | O10 | C13 | 112.2° | 145.7° |
| F24 | C7 | O10 | C13 | 126.8° | 91.4° |
| C8 | C26 | C29 | H5 | 180.0° | 180.0° |
| C8 | C26 | C29 | C27 | 0.5° | 0.1° |
| C8 | C26 | C29 | H9 | 179.5° | 180.0° |
| O10 | C13 | C27 | C29 | 179.5° | 179.9° |
| O10 | C13 | C27 | H8 | 0.5° | 0.1° |
| N11 | C20 | C17 | H3 | 180.0° | 180.0° |
| N11 | C20 | C17 | H2 | 179.6° | 180.0° |
| C12 | C15 | C14 | H1 | 180.0° | 179.8° |
| C12 | C15 | C14 | H7 | 179.7° | 179.7° |
| O22 | C12 | C15 | C14 | 179.2° | 179.8° |
| O22 | C12 | C15 | H1 | 0.8° | 0.0° |
| C13 | C27 | C29 | C26 | 0.5° | 0.1° |
| C13 | C27 | C29 | H8 | 180.0° | 179.9° |
| C13 | C27 | C29 | H9 | 179.5° | 180.0° |
| C28 | C16 | C21 | C25 | 0.1° | 0.0° |
| C16 | C28 | C30 | H6 | 180.0° | 179.2° |
| C16 | C28 | C30 | C31 | 1.1° | 0.7° |
| C28 | C16 | C21 | H4 | 179.9° | 179.7° |
| C16 | C28 | C30 | H10 | 178.9° | 179.2° |
| C16 | C21 | C25 | C19 | 178.9° | 179.8° |
| C16 | C21 | C25 | H4 | 180.0° | 179.7° |
| C16 | C21 | C25 | C31 | 0.2° | 0.3° |
| C21 | C16 | C28 | C30 | 0.5° | 0.5° |
| C21 | C16 | C28 | H6 | 179.5° | 179.7° |
| N18 | C19 | C25 | C21 | 148.2° | 18.9° |
| N18 | C19 | C25 | C31 | 32.7° | 161.1° |
| C19 | C25 | C21 | C31 | 179.1° | 180.0° |
| C19 | C25 | C31 | C30 | 179.5° | 180.0° |
| C19 | C25 | C21 | H4 | 1.1° | 0.0° |
| C19 | C25 | C31 | H11 | 0.5° | 0.1° |
| C21 | C25 | C31 | C30 | 0.4° | 0.0° |
| C21 | C25 | C31 | H11 | 179.6° | 179.9° |
| C25 | C31 | C30 | C28 | 1.0° | 0.5° |
| C25 | C31 | C30 | H11 | 180.0° | 179.9° |
| C31 | C25 | C21 | H4 | 179.8° | 180.0° |
| C25 | C31 | C30 | H10 | 179.0° | 179.5° |
| C26 | C29 | C27 | H9 | 180.0° | 179.9° |
| C26 | C29 | C27 | H8 | 179.6° | 180.0° |
| C27 | C29 | C26 | H5 | 179.5° | 180.0° |
| C28 | C30 | C31 | H10 | 180.0° | 180.0° |
| C28 | C30 | C31 | H11 | 178.9° | 179.4° |
| C31 | C30 | C28 | H6 | 178.9° | 180.0° |
| H1 | C15 | C14 | H7 | 0.3° | 0.1° |
| H2 | C17 | C20 | H3 | 0.4° | 0.0° |
| H5 | C26 | C29 | H9 | 0.5° | 0.1° |
| H6 | C28 | C30 | H10 | 1.1° | 0.0° |
| H8 | C27 | C29 | H9 | 0.5° | 0.1° |
| H10 | C30 | C31 | H11 | 1.1° | 0.6° |
