KF5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C6 | sing | 1.38Å | 1.33Å | |
| C6 | N1 | doub | 1.33Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.41Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.40Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.33Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.34Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.32Å | Aromatic |
| CAP | CAO | sing | 1.53Å | 1.53Å | |
| CAP | CAK | sing | 1.53Å | 1.53Å | |
| C8 | N9 | sing | 1.36Å | 1.33Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| N9 | CAK | sing | 1.46Å | 1.48Å | |
| CAO | CAN | sing | 1.53Å | 1.52Å | |
| CAK | OAL | sing | 1.43Å | 1.46Å | |
| CAN | CAM | sing | 1.53Å | 1.53Å | |
| OAL | CAM | sing | 1.43Å | 1.45Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| CAK | H3 | sing | 1.09Å | 1.10Å | |
| CAM | H4 | sing | 1.09Å | 1.10Å | |
| CAM | H5 | sing | 1.09Å | 1.10Å | |
| CAN | H6 | sing | 1.09Å | 1.10Å | |
| CAN | H7 | sing | 1.09Å | 1.10Å | |
| CAO | H8 | sing | 1.09Å | 1.10Å | |
| CAO | H9 | sing | 1.09Å | 1.10Å | |
| CAP | H10 | sing | 1.09Å | 1.10Å | |
| CAP | H11 | sing | 1.09Å | 1.10Å | |
| N6 | H12 | sing | 0.97Å | 1.00Å | |
| N6 | H13 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C6 | N1 | 120.3° | 120.8° |
| N6 | C6 | C5 | 121.1° | 120.8° |
| C6 | N6 | H12 | 109.5° | 120.0° |
| C6 | N6 | H13 | 109.4° | 120.0° |
| N1 | C6 | C5 | 118.5° | 118.5° |
| C6 | N1 | C2 | 119.2° | 121.2° |
| C6 | C5 | N7 | 133.8° | 134.7° |
| C6 | C5 | C4 | 119.1° | 118.1° |
| N1 | C2 | N3 | 120.7° | 122.4° |
| N1 | C2 | H1 | 119.7° | 118.7° |
| C5 | N7 | C8 | 108.2° | 109.4° |
| N7 | C5 | C4 | 107.2° | 107.2° |
| N7 | C8 | N9 | 109.0° | 110.0° |
| N7 | C8 | H2 | 125.5° | 125.0° |
| C5 | C4 | N3 | 121.2° | 119.1° |
| C5 | C4 | N9 | 107.2° | 106.0° |
| C2 | N3 | C4 | 121.3° | 120.7° |
| N3 | C2 | H1 | 119.7° | 118.9° |
| CAO | CAP | CAK | 109.0° | 109.2° |
| CAP | CAO | CAN | 108.0° | 109.0° |
| CAP | CAO | H8 | 109.8° | 109.5° |
| CAP | CAO | H9 | 109.8° | 109.6° |
| CAO | CAP | H10 | 109.6° | 109.5° |
| CAO | CAP | H11 | 109.6° | 109.6° |
| CAP | CAK | N9 | 109.1° | 109.5° |
| CAP | CAK | OAL | 109.8° | 109.4° |
| CAP | CAK | H3 | 108.6° | 109.4° |
| CAK | CAP | H10 | 109.6° | 109.5° |
| CAK | CAP | H11 | 109.6° | 109.5° |
| C8 | N9 | C4 | 108.5° | 107.4° |
| C8 | N9 | CAK | 127.9° | 126.3° |
| N9 | C8 | H2 | 125.5° | 125.0° |
| N3 | C4 | N9 | 131.6° | 134.9° |
| C4 | N9 | CAK | 123.6° | 126.3° |
| N9 | CAK | OAL | 110.4° | 109.5° |
| N9 | CAK | H3 | 109.2° | 109.5° |
| CAO | CAN | CAM | 108.5° | 109.1° |
| CAO | CAN | H6 | 109.7° | 109.5° |
| CAO | CAN | H7 | 109.7° | 109.6° |
| CAN | CAO | H8 | 109.8° | 109.6° |
| CAN | CAO | H9 | 109.8° | 109.5° |
| CAK | OAL | CAM | 112.1° | 114.1° |
| OAL | CAK | H3 | 109.6° | 109.5° |
| CAN | CAM | OAL | 110.0° | 109.4° |
| CAN | CAM | H4 | 109.4° | 109.4° |
| CAN | CAM | H5 | 109.3° | 109.5° |
| CAM | CAN | H6 | 109.7° | 109.5° |
| CAM | CAN | H7 | 109.7° | 109.5° |
| OAL | CAM | H4 | 109.3° | 109.5° |
| OAL | CAM | H5 | 109.4° | 109.5° |
| H4 | CAM | H5 | 109.5° | 109.5° |
| H6 | CAN | H7 | 109.5° | 109.5° |
| H8 | CAO | H9 | 109.5° | 109.6° |
| H10 | CAP | H11 | 109.4° | 109.5° |
| H12 | N6 | H13 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C6 | N1 | C5 | 180.0° | 179.6° |
| N6 | C6 | N1 | C2 | 179.9° | 180.0° |
| N6 | C6 | C5 | N7 | 0.0° | 0.4° |
| N6 | C6 | C5 | C4 | 179.9° | 179.7° |
| C6 | N6 | H12 | H13 | 120.0° | 179.9° |
| N1 | C6 | C5 | N7 | 180.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.7° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| C6 | N1 | C2 | H1 | 179.8° | 179.7° |
| N1 | C6 | N6 | H12 | 0.0° | 0.1° |
| N1 | C6 | N6 | H13 | 120.0° | 180.0° |
| C5 | C6 | N1 | C2 | 0.1° | 0.4° |
| C6 | C5 | N7 | C4 | 180.0° | 179.4° |
| C6 | C5 | N7 | C8 | 179.9° | 179.4° |
| C6 | C5 | C4 | N3 | 0.1° | 0.5° |
| C6 | C5 | C4 | N9 | 179.9° | 179.6° |
| C5 | C6 | N6 | H12 | 180.0° | 179.5° |
| C5 | C6 | N6 | H13 | 60.0° | 0.4° |
| N1 | C2 | N3 | H1 | 180.0° | 179.7° |
| N1 | C2 | N3 | C4 | 0.2° | 0.2° |
| C5 | N7 | C8 | N9 | 0.0° | 0.0° |
| N7 | C5 | C4 | N3 | 179.9° | 180.0° |
| N7 | C5 | C4 | N9 | 0.1° | 0.0° |
| C5 | N7 | C8 | H2 | 179.9° | 180.0° |
| C8 | N7 | C5 | C4 | 0.0° | 0.0° |
| N7 | C8 | N9 | H2 | 180.0° | 180.0° |
| N7 | C8 | N9 | C4 | 0.1° | 0.0° |
| N7 | C8 | N9 | CAK | 180.0° | 180.0° |
| C5 | C4 | N3 | C2 | 0.2° | 0.0° |
| C5 | C4 | N9 | C8 | 0.1° | 0.0° |
| C5 | C4 | N3 | N9 | 180.0° | 179.9° |
| C5 | C4 | N9 | CAK | 180.0° | 180.0° |
| C2 | N3 | C4 | N9 | 179.8° | 180.0° |
| CAO | CAP | CAK | H10 | 120.0° | 119.9° |
| CAO | CAP | CAK | H11 | 119.9° | 119.9° |
| CAO | CAP | CAK | N9 | 179.9° | 177.6° |
| CAP | CAO | CAN | H8 | 119.8° | 119.9° |
| CAP | CAO | CAN | H9 | 119.8° | 119.9° |
| CAO | CAP | CAK | OAL | 59.0° | 57.6° |
| CAP | CAO | CAN | CAM | 60.1° | 57.0° |
| CAO | CAP | CAK | H3 | 60.9° | 62.4° |
| CAP | CAO | CAN | H6 | 59.8° | 176.9° |
| CAP | CAO | CAN | H7 | 179.9° | 63.0° |
| CAP | CAO | H8 | H9 | 120.6° | 120.2° |
| CAO | CAP | H10 | H11 | 120.2° | 120.2° |
| CAP | CAK | N9 | C8 | 100.2° | 94.9° |
| CAP | CAK | N9 | C4 | 79.9° | 85.0° |
| CAP | CAK | N9 | OAL | 120.8° | 120.0° |
| CAP | CAK | N9 | H3 | 118.6° | 120.0° |
| CAK | CAP | CAO | CAN | 59.9° | 57.0° |
| CAP | CAK | OAL | H3 | 119.3° | 119.9° |
| CAP | CAK | OAL | CAM | 59.5° | 61.1° |
| CAK | CAP | CAO | H8 | 179.7° | 62.9° |
| CAK | CAP | CAO | H9 | 59.8° | 176.8° |
| CAK | CAP | H10 | H11 | 120.2° | 120.1° |
| C8 | N9 | C4 | N3 | 179.9° | 180.0° |
| C8 | N9 | C4 | CAK | 179.9° | 180.0° |
| C8 | N9 | CAK | OAL | 20.6° | 25.0° |
| C8 | N9 | CAK | H3 | 141.2° | 145.1° |
| N3 | C4 | N9 | CAK | 0.0° | 0.0° |
| C4 | N3 | C2 | H1 | 179.8° | 179.9° |
| C4 | N9 | CAK | OAL | 159.3° | 155.0° |
| C4 | N9 | C8 | H2 | 179.9° | 180.0° |
| C4 | N9 | CAK | H3 | 38.7° | 34.9° |
| N9 | CAK | OAL | H3 | 120.4° | 120.1° |
| N9 | CAK | OAL | CAM | 179.9° | 178.9° |
| CAK | N9 | C8 | H2 | 0.0° | 0.0° |
| N9 | CAK | CAP | H10 | 59.9° | 57.7° |
| N9 | CAK | CAP | H11 | 60.2° | 62.5° |
| CAO | CAN | CAM | H6 | 119.9° | 119.9° |
| CAO | CAN | CAM | H7 | 119.8° | 120.0° |
| CAO | CAN | CAM | OAL | 59.9° | 57.6° |
| CAO | CAN | CAM | H4 | 180.0° | 177.6° |
| CAO | CAN | CAM | H5 | 60.1° | 62.4° |
| CAO | CAN | H6 | H7 | 120.5° | 120.2° |
| CAN | CAO | H8 | H9 | 120.7° | 120.2° |
| CAN | CAO | CAP | H10 | 179.9° | 62.9° |
| CAN | CAO | CAP | H11 | 60.0° | 176.9° |
| CAK | OAL | CAM | CAN | 60.1° | 61.1° |
| CAK | OAL | CAM | H4 | 179.8° | 178.9° |
| CAK | OAL | CAM | H5 | 60.0° | 58.9° |
| OAL | CAK | CAP | H10 | 178.9° | 62.3° |
| OAL | CAK | CAP | H11 | 60.9° | 177.5° |
| CAN | CAM | OAL | H4 | 120.1° | 120.0° |
| CAN | CAM | OAL | H5 | 120.1° | 120.0° |
| CAN | CAM | H4 | H5 | 119.8° | 120.0° |
| CAM | CAN | H6 | H7 | 120.5° | 120.1° |
| CAM | CAN | CAO | H8 | 179.8° | 62.9° |
| CAM | CAN | CAO | H9 | 59.7° | 176.9° |
| CAM | OAL | CAK | H3 | 59.7° | 58.8° |
| OAL | CAM | H4 | H5 | 119.8° | 120.0° |
| OAL | CAM | CAN | H6 | 59.9° | 177.5° |
| OAL | CAM | CAN | H7 | 179.8° | 62.4° |
| H3 | CAK | CAP | H10 | 59.1° | 177.7° |
| H3 | CAK | CAP | H11 | 179.2° | 57.6° |
| H4 | CAM | CAN | H6 | 60.1° | 62.5° |
| H4 | CAM | CAN | H7 | 60.1° | 57.6° |
| H5 | CAM | CAN | H6 | 180.0° | 57.5° |
| H5 | CAM | CAN | H7 | 59.7° | 177.6° |
| H6 | CAN | CAO | H8 | 60.0° | 57.0° |
| H6 | CAN | CAO | H9 | 179.6° | 63.2° |
| H7 | CAN | CAO | H8 | 60.3° | 177.2° |
| H7 | CAN | CAO | H9 | 60.1° | 56.9° |
| H8 | CAO | CAP | H10 | 60.3° | 177.2° |
| H8 | CAO | CAP | H11 | 59.8° | 57.0° |
| H9 | CAO | CAP | H10 | 60.1° | 56.9° |
| H9 | CAO | CAP | H11 | 179.8° | 63.3° |
