KF4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.43Å | |
| O | C1 | sing | 1.36Å | 1.37Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| N7 | C3 | sing | 1.37Å | 1.36Å | Aromatic |
| N7 | N6 | sing | 1.40Å | 1.36Å | Aromatic |
| C1 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.41Å | 1.41Å | Aromatic |
| C15 | C14 | sing | 1.40Å | 1.42Å | Aromatic |
| C15 | C16 | doub | 1.36Å | 1.35Å | Aromatic |
| C14 | N5 | doub | 1.31Å | 1.33Å | Aromatic |
| C16 | N4 | sing | 1.36Å | 1.38Å | Aromatic |
| N6 | C17 | doub | 1.30Å | 1.32Å | Aromatic |
| N5 | C13 | sing | 1.33Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.48Å | |
| C6 | C5 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | C17 | sing | 1.46Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.40Å | Aromatic |
| N4 | C13 | sing | 1.37Å | 1.38Å | Aromatic |
| N4 | N3 | sing | 1.40Å | 1.36Å | Aromatic |
| C13 | C11 | doub | 1.41Å | 1.40Å | Aromatic |
| C7 | N1 | sing | 1.37Å | 1.34Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| N1 | N | sing | 1.40Å | 1.36Å | Aromatic |
| N2 | C8 | sing | 1.41Å | 1.42Å | |
| N2 | C10 | sing | 1.35Å | 1.37Å | |
| C8 | C9 | sing | 1.40Å | 1.43Å | Aromatic |
| N3 | C12 | doub | 1.31Å | 1.33Å | Aromatic |
| C11 | C10 | sing | 1.47Å | 1.48Å | |
| C11 | C12 | sing | 1.41Å | 1.40Å | Aromatic |
| N | C9 | doub | 1.31Å | 1.33Å | Aromatic |
| C10 | O1 | doub | 1.22Å | 1.23Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| N7 | H13 | sing | 0.97Å | 1.00Å | |
| C2 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | O | C1 | 118.1° | 117.0° |
| O | C | H9 | 109.5° | 109.5° |
| O | C | H10 | 109.5° | 109.5° |
| O | C | H11 | 109.5° | 109.5° |
| O | C1 | C2 | 123.4° | 119.8° |
| O | C1 | C6 | 115.8° | 119.8° |
| C1 | C2 | C3 | 120.5° | 120.1° |
| C2 | C1 | C6 | 120.8° | 120.4° |
| C1 | C2 | H14 | 119.7° | 120.0° |
| C2 | C3 | N7 | 133.9° | 133.5° |
| C2 | C3 | C4 | 119.7° | 119.8° |
| C3 | C2 | H14 | 119.8° | 120.0° |
| C3 | N7 | N6 | 111.7° | 109.1° |
| N7 | C3 | C4 | 106.4° | 106.7° |
| C3 | N7 | H13 | 124.1° | 125.5° |
| N7 | N6 | C17 | 106.1° | 110.1° |
| N6 | N7 | H13 | 124.2° | 125.4° |
| C1 | C6 | C7 | 122.6° | 119.9° |
| C1 | C6 | C5 | 118.5° | 120.1° |
| C3 | C4 | C17 | 104.4° | 106.3° |
| C3 | C4 | C5 | 119.4° | 120.0° |
| C14 | C15 | C16 | 118.8° | 119.4° |
| C15 | C14 | N5 | 124.4° | 120.1° |
| C15 | C14 | H1 | 117.8° | 119.9° |
| C14 | C15 | H7 | 120.6° | 120.3° |
| C15 | C16 | N4 | 117.6° | 119.2° |
| C16 | C15 | H7 | 120.6° | 120.3° |
| C15 | C16 | H8 | 121.2° | 120.4° |
| C14 | N5 | C13 | 115.5° | 120.9° |
| N5 | C14 | H1 | 117.8° | 120.0° |
| C16 | N4 | C13 | 121.2° | 119.7° |
| C16 | N4 | N3 | 126.5° | 132.2° |
| N4 | C16 | H8 | 121.2° | 120.4° |
| N6 | C17 | C4 | 111.3° | 107.8° |
| N6 | C17 | H12 | 124.3° | 126.1° |
| N5 | C13 | N4 | 122.6° | 120.8° |
| N5 | C13 | C11 | 131.3° | 132.5° |
| C7 | C6 | C5 | 118.8° | 119.9° |
| C6 | C7 | N1 | 121.5° | 126.5° |
| C6 | C7 | C8 | 129.5° | 126.5° |
| C6 | C5 | C4 | 121.1° | 119.6° |
| C6 | C5 | H2 | 119.5° | 120.2° |
| C17 | C4 | C5 | 136.2° | 133.7° |
| C4 | C17 | H12 | 124.3° | 126.1° |
| C4 | C5 | H2 | 119.5° | 120.2° |
| C13 | N4 | N3 | 112.2° | 108.1° |
| N4 | C13 | C11 | 106.0° | 106.7° |
| N4 | N3 | C12 | 104.6° | 109.5° |
| C13 | C11 | C10 | 126.9° | 126.5° |
| C13 | C11 | C12 | 104.6° | 106.9° |
| N1 | C7 | C8 | 108.9° | 107.1° |
| C7 | N1 | N | 107.3° | 107.8° |
| C7 | N1 | H5 | 126.4° | 126.1° |
| C7 | C8 | N2 | 125.2° | 126.3° |
| C7 | C8 | C9 | 105.7° | 107.6° |
| N1 | N | C9 | 112.4° | 108.9° |
| N | N1 | H5 | 126.3° | 126.0° |
| C8 | N2 | C10 | 124.8° | 120.0° |
| N2 | C8 | C9 | 129.0° | 126.2° |
| C8 | N2 | H6 | 117.6° | 119.9° |
| N2 | C10 | C11 | 115.6° | 120.0° |
| N2 | C10 | O1 | 123.8° | 120.0° |
| C10 | N2 | H6 | 117.6° | 120.1° |
| C8 | C9 | N | 105.6° | 108.6° |
| C8 | C9 | H3 | 127.2° | 125.7° |
| N3 | C12 | C11 | 112.7° | 108.7° |
| N3 | C12 | H4 | 123.7° | 125.6° |
| C10 | C11 | C12 | 128.4° | 126.5° |
| C11 | C10 | O1 | 120.6° | 120.0° |
| C11 | C12 | H4 | 123.7° | 125.6° |
| N | C9 | H3 | 127.2° | 125.7° |
| H9 | C | H10 | 109.5° | 109.5° |
| H9 | C | H11 | 109.5° | 109.5° |
| H10 | C | H11 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | O | C1 | C2 | 7.2° | 0.4° |
| C | O | C1 | C6 | 170.6° | 179.9° |
| O | C | H9 | H10 | 120.0° | 120.0° |
| O | C | H9 | H11 | 120.0° | 120.0° |
| O | C | H10 | H11 | 120.0° | 120.0° |
| O | C1 | C2 | C6 | 177.7° | 179.7° |
| O | C1 | C2 | C3 | 176.2° | 179.8° |
| O | C1 | C6 | C7 | 0.5° | 0.1° |
| O | C1 | C6 | C5 | 177.6° | 179.9° |
| C1 | O | C | H9 | 180.0° | 60.0° |
| C1 | O | C | H10 | 60.0° | 60.0° |
| C1 | O | C | H11 | 60.0° | 180.0° |
| O | C1 | C2 | H14 | 3.8° | 0.4° |
| C1 | C2 | C3 | H14 | 180.0° | 179.4° |
| C1 | C2 | C3 | N7 | 179.7° | 179.9° |
| C1 | C2 | C3 | C4 | 1.4° | 0.2° |
| C2 | C1 | C6 | C7 | 177.3° | 179.6° |
| C2 | C1 | C6 | C5 | 0.3° | 0.4° |
| C2 | C3 | N7 | C4 | 179.0° | 179.9° |
| C2 | C3 | N7 | N6 | 178.5° | 179.8° |
| C3 | C2 | C1 | C6 | 1.4° | 0.5° |
| C2 | C3 | C4 | C17 | 178.8° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.2° |
| C2 | C3 | N7 | H13 | 1.5° | 0.0° |
| C3 | N7 | N6 | H13 | 180.0° | 179.8° |
| C3 | N7 | N6 | C17 | 0.4° | 0.5° |
| N7 | C3 | C4 | C17 | 0.3° | 0.0° |
| N7 | C3 | C4 | C5 | 179.4° | 179.8° |
| N7 | C3 | C2 | H14 | 0.3° | 0.4° |
| N6 | N7 | C3 | C4 | 0.5° | 0.3° |
| N7 | N6 | C17 | C4 | 0.2° | 0.4° |
| N7 | N6 | C17 | H12 | 179.8° | 179.6° |
| C1 | C6 | C7 | C5 | 177.1° | 180.0° |
| C1 | C6 | C5 | C4 | 0.9° | 0.0° |
| C1 | C6 | C7 | N1 | 120.1° | 115.0° |
| C1 | C6 | C7 | C8 | 56.2° | 65.3° |
| C1 | C6 | C5 | H2 | 179.1° | 180.0° |
| C6 | C1 | C2 | H14 | 178.6° | 179.9° |
| C3 | C4 | C17 | N6 | 0.1° | 0.3° |
| C3 | C4 | C5 | C6 | 0.9° | 0.3° |
| C3 | C4 | C17 | C5 | 178.9° | 179.7° |
| C3 | C4 | C5 | H2 | 179.1° | 179.7° |
| C3 | C4 | C17 | H12 | 179.9° | 179.8° |
| C4 | C3 | N7 | H13 | 179.5° | 179.9° |
| C4 | C3 | C2 | H14 | 178.6° | 179.6° |
| C14 | C15 | C16 | H7 | 180.0° | 179.9° |
| C15 | C14 | N5 | H1 | 180.0° | 179.8° |
| C14 | C15 | C16 | N4 | 0.2° | 0.0° |
| C15 | C14 | N5 | C13 | 1.2° | 0.2° |
| C14 | C15 | C16 | H8 | 179.8° | 179.9° |
| C16 | C15 | C14 | N5 | 0.9° | 0.1° |
| C15 | C16 | N4 | H8 | 180.0° | 179.9° |
| C15 | C16 | N4 | C13 | 0.1° | 0.3° |
| C15 | C16 | N4 | N3 | 176.3° | 180.0° |
| C16 | C15 | C14 | H1 | 179.2° | 179.7° |
| C14 | N5 | C13 | N4 | 0.9° | 0.5° |
| C14 | N5 | C13 | C11 | 174.9° | 179.9° |
| N5 | C14 | C15 | H7 | 179.1° | 180.0° |
| C16 | N4 | C13 | N5 | 0.3° | 0.5° |
| C16 | N4 | C13 | N3 | 176.9° | 179.8° |
| C16 | N4 | C13 | C11 | 176.4° | 179.9° |
| C16 | N4 | N3 | C12 | 176.4° | 180.0° |
| N4 | C16 | C15 | H7 | 179.8° | 179.9° |
| N6 | C17 | C4 | H12 | 180.0° | 180.0° |
| N6 | C17 | C4 | C5 | 179.0° | 180.0° |
| C17 | N6 | N7 | H13 | 179.6° | 179.8° |
| N5 | C13 | N4 | C11 | 176.7° | 179.6° |
| N5 | C13 | N4 | N3 | 177.2° | 179.7° |
| N5 | C13 | C11 | C10 | 0.4° | 0.3° |
| N5 | C13 | C11 | C12 | 176.8° | 179.5° |
| C13 | N5 | C14 | H1 | 178.8° | 180.0° |
| C7 | C6 | C5 | C4 | 176.3° | 180.0° |
| C6 | C7 | N1 | C8 | 177.0° | 179.7° |
| C6 | C7 | N1 | N | 177.1° | 179.9° |
| C6 | C7 | C8 | N2 | 0.6° | 0.1° |
| C6 | C7 | C8 | C9 | 177.0° | 180.0° |
| C7 | C6 | C5 | H2 | 3.7° | 0.0° |
| C6 | C7 | N1 | H5 | 2.8° | 0.0° |
| C6 | C5 | C4 | C17 | 179.6° | 180.0° |
| C6 | C5 | C4 | H2 | 180.0° | 180.0° |
| C5 | C6 | C7 | N1 | 56.9° | 65.0° |
| C5 | C6 | C7 | C8 | 126.7° | 114.7° |
| C17 | C4 | C5 | H2 | 0.4° | 0.0° |
| C5 | C4 | C17 | H12 | 1.0° | 0.0° |
| C13 | N4 | N3 | C12 | 0.2° | 0.2° |
| N4 | C13 | C11 | C10 | 176.7° | 179.9° |
| N4 | C13 | C11 | C12 | 0.4° | 0.0° |
| C13 | N4 | C16 | H8 | 179.9° | 179.8° |
| N3 | N4 | C13 | C11 | 0.4° | 0.1° |
| N4 | N3 | C12 | C11 | 0.1° | 0.2° |
| N4 | N3 | C12 | H4 | 180.0° | 179.7° |
| N3 | N4 | C16 | H8 | 3.7° | 0.1° |
| C13 | C11 | C10 | N2 | 4.4° | 179.8° |
| C13 | C11 | C12 | N3 | 0.3° | 0.2° |
| C13 | C11 | C10 | C12 | 176.5° | 179.8° |
| C13 | C11 | C10 | O1 | 175.7° | 0.2° |
| C13 | C11 | C12 | H4 | 179.7° | 179.8° |
| C7 | N1 | N | H5 | 180.0° | 179.9° |
| N1 | C7 | C8 | N2 | 177.3° | 179.8° |
| N1 | C7 | C8 | C9 | 0.3° | 0.3° |
| C7 | N1 | N | C9 | 0.1° | 0.4° |
| C8 | C7 | N1 | N | 0.1° | 0.4° |
| C7 | C8 | N2 | C9 | 177.0° | 180.0° |
| C7 | C8 | N2 | C10 | 168.9° | 180.0° |
| C7 | C8 | C9 | N | 0.4° | 0.0° |
| C7 | C8 | C9 | H3 | 179.7° | 180.0° |
| C8 | C7 | N1 | H5 | 179.8° | 179.7° |
| C7 | C8 | N2 | H6 | 11.1° | 0.1° |
| N1 | N | C9 | C8 | 0.3° | 0.2° |
| N1 | N | C9 | H3 | 179.7° | 179.8° |
| C8 | N2 | C10 | H6 | 180.0° | 179.9° |
| C8 | N2 | C10 | C11 | 178.2° | 180.0° |
| N2 | C8 | C9 | N | 177.1° | 180.0° |
| C8 | N2 | C10 | O1 | 1.7° | 0.0° |
| N2 | C8 | C9 | H3 | 2.9° | 0.0° |
| C10 | N2 | C8 | C9 | 14.1° | 0.0° |
| N2 | C10 | C11 | O1 | 179.9° | 180.0° |
| N2 | C10 | C11 | C12 | 172.1° | 0.0° |
| C8 | C9 | N | H3 | 180.0° | 180.0° |
| C9 | C8 | N2 | H6 | 165.9° | 179.9° |
| N3 | C12 | C11 | C10 | 176.8° | 180.0° |
| N3 | C12 | C11 | H4 | 180.0° | 179.9° |
| C10 | C11 | C12 | H4 | 3.2° | 0.1° |
| C11 | C10 | N2 | H6 | 1.8° | 0.1° |
| C12 | C11 | C10 | O1 | 7.9° | 180.0° |
| C9 | N | N1 | H5 | 179.9° | 179.7° |
| O1 | C10 | N2 | H6 | 178.3° | 180.0° |
| H1 | C14 | C15 | H7 | 0.9° | 0.2° |
| H7 | C15 | C16 | H8 | 0.2° | 0.0° |
| H9 | C | H10 | H11 | 120.0° | 120.0° |
