KF6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | N1 | sing | 1.36Å | 1.36Å | Aromatic |
| C8 | C9 | doub | 1.35Å | 1.37Å | Aromatic |
| N1 | C7 | sing | 1.36Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.41Å | 1.42Å | Aromatic |
| C7 | C10 | doub | 1.35Å | 1.37Å | Aromatic |
| C7 | C6 | sing | 1.51Å | 1.56Å | |
| C6 | C5 | sing | 1.51Å | 1.50Å | |
| C4 | C5 | doub | 1.34Å | 1.36Å | Aromatic |
| C4 | N | sing | 1.37Å | 1.37Å | Aromatic |
| C5 | C11 | sing | 1.46Å | 1.44Å | Aromatic |
| N | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C3 | doub | 1.41Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C | doub | 1.37Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C | BR | sing | 1.89Å | 1.91Å | |
| C12 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| N | H11 | sing | 0.97Å | 1.00Å | |
| C1 | CL1 | sing | 1.74Å | 375.24Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C8 | C9 | 108.3° | 108.3° |
| C8 | N1 | C7 | 109.4° | 108.7° |
| N1 | C8 | H4 | 125.8° | 125.9° |
| C8 | N1 | H5 | 125.3° | 125.7° |
| C8 | C9 | C10 | 107.2° | 107.4° |
| C8 | C9 | H3 | 126.4° | 126.3° |
| C9 | C8 | H4 | 125.8° | 125.9° |
| N1 | C7 | C10 | 107.5° | 108.2° |
| N1 | C7 | C6 | 121.7° | 125.9° |
| C7 | N1 | H5 | 125.3° | 125.6° |
| C9 | C10 | C7 | 107.5° | 107.4° |
| C9 | C10 | H2 | 126.2° | 126.3° |
| C10 | C9 | H3 | 126.4° | 126.3° |
| C10 | C7 | C6 | 130.6° | 125.9° |
| C7 | C10 | H2 | 126.2° | 126.3° |
| C7 | C6 | C5 | 112.7° | 109.4° |
| C7 | C6 | H7 | 108.6° | 109.5° |
| C7 | C6 | H8 | 108.7° | 109.5° |
| C6 | C5 | C4 | 127.0° | 126.4° |
| C6 | C5 | C11 | 126.8° | 126.6° |
| C5 | C6 | H7 | 108.7° | 109.4° |
| C5 | C6 | H8 | 108.7° | 109.5° |
| C5 | C4 | N | 110.3° | 109.9° |
| C4 | C5 | C11 | 106.2° | 107.0° |
| C5 | C4 | H9 | 124.9° | 125.1° |
| C4 | N | C3 | 109.1° | 109.9° |
| N | C4 | H9 | 124.8° | 125.0° |
| C4 | N | H11 | 125.4° | 125.1° |
| C5 | C11 | C3 | 107.1° | 106.1° |
| C5 | C11 | C12 | 134.1° | 134.0° |
| N | C3 | C11 | 107.3° | 107.1° |
| N | C3 | C2 | 130.7° | 133.5° |
| C3 | N | H11 | 125.5° | 125.0° |
| C3 | C11 | C12 | 118.8° | 119.9° |
| C11 | C3 | C2 | 121.9° | 119.4° |
| C11 | C12 | C | 118.8° | 119.8° |
| C11 | C12 | H1 | 120.6° | 120.1° |
| C3 | C2 | C1 | 118.7° | 119.8° |
| C3 | C2 | H10 | 120.6° | 120.1° |
| C12 | C | C1 | 122.1° | 120.5° |
| C12 | C | BR | 118.8° | 119.7° |
| C | C12 | H1 | 120.6° | 120.1° |
| C2 | C1 | C | 119.7° | 120.7° |
| C1 | C2 | H10 | 120.6° | 120.1° |
| C2 | C1 | CL1 | 88.9° | 119.7° |
| C1 | C | BR | 119.1° | 119.8° |
| C | C1 | CL1 | 34.5° | 119.7° |
| H7 | C6 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C8 | C9 | H4 | 180.0° | 179.8° |
| C8 | N1 | C7 | H5 | 180.0° | 179.8° |
| N1 | C8 | C9 | C10 | 0.6° | 0.0° |
| C8 | N1 | C7 | C10 | 0.7° | 0.4° |
| C8 | N1 | C7 | C6 | 175.6° | 179.7° |
| N1 | C8 | C9 | H3 | 179.3° | 180.0° |
| C9 | C8 | N1 | C7 | 0.0° | 0.2° |
| C8 | C9 | C10 | H3 | 180.0° | 180.0° |
| C8 | C9 | C10 | C7 | 1.1° | 0.2° |
| C8 | C9 | C10 | H2 | 178.9° | 180.0° |
| C9 | C8 | N1 | H5 | 180.0° | 180.0° |
| N1 | C7 | C10 | C9 | 1.1° | 0.3° |
| N1 | C7 | C10 | C6 | 175.8° | 179.9° |
| N1 | C7 | C6 | C5 | 144.8° | 94.8° |
| N1 | C7 | C10 | H2 | 178.9° | 179.8° |
| C7 | N1 | C8 | H4 | 180.0° | 180.0° |
| N1 | C7 | C6 | H7 | 94.8° | 25.1° |
| N1 | C7 | C6 | H8 | 24.3° | 145.1° |
| C9 | C10 | C7 | H2 | 180.0° | 179.8° |
| C9 | C10 | C7 | C6 | 174.7° | 179.7° |
| C10 | C9 | C8 | H4 | 179.4° | 179.8° |
| C10 | C7 | C6 | C5 | 39.9° | 85.1° |
| C7 | C10 | C9 | H3 | 178.9° | 179.8° |
| C10 | C7 | N1 | H5 | 179.3° | 179.9° |
| C10 | C7 | C6 | H7 | 80.6° | 155.0° |
| C10 | C7 | C6 | H8 | 160.4° | 34.9° |
| C7 | C6 | C5 | H7 | 120.5° | 120.0° |
| C7 | C6 | C5 | H8 | 120.5° | 120.0° |
| C7 | C6 | C5 | C4 | 99.6° | 95.0° |
| C7 | C6 | C5 | C11 | 77.8° | 85.0° |
| C6 | C7 | C10 | H2 | 5.3° | 0.1° |
| C6 | C7 | N1 | H5 | 4.4° | 0.1° |
| C7 | C6 | H7 | H8 | 118.5° | 120.0° |
| C6 | C5 | C4 | C11 | 177.8° | 180.0° |
| C6 | C5 | C4 | N | 177.6° | 180.0° |
| C6 | C5 | C11 | C3 | 177.4° | 180.0° |
| C6 | C5 | C11 | C12 | 0.4° | 0.1° |
| C5 | C6 | H7 | H8 | 118.5° | 120.0° |
| C6 | C5 | C4 | H9 | 2.4° | 0.0° |
| C5 | C4 | N | H9 | 180.0° | 180.0° |
| C5 | C4 | N | C3 | 0.1° | 0.0° |
| C4 | C5 | C11 | C3 | 0.4° | 0.0° |
| C4 | C5 | C11 | C12 | 178.2° | 179.9° |
| C4 | C5 | C6 | H7 | 140.0° | 145.0° |
| C4 | C5 | C6 | H8 | 20.9° | 25.0° |
| C5 | C4 | N | H11 | 179.9° | 180.0° |
| N | C4 | C5 | C11 | 0.2° | 0.0° |
| C4 | N | C3 | H11 | 180.0° | 179.9° |
| C4 | N | C3 | C11 | 0.3° | 0.0° |
| C4 | N | C3 | C2 | 177.8° | 180.0° |
| C5 | C11 | C3 | N | 0.4° | 0.0° |
| C5 | C11 | C3 | C12 | 178.2° | 179.9° |
| C5 | C11 | C3 | C2 | 177.9° | 180.0° |
| C5 | C11 | C12 | C | 177.3° | 180.0° |
| C5 | C11 | C12 | H1 | 2.7° | 0.4° |
| C11 | C5 | C6 | H7 | 42.7° | 35.0° |
| C11 | C5 | C6 | H8 | 161.7° | 155.0° |
| C11 | C5 | C4 | H9 | 179.8° | 180.0° |
| N | C3 | C11 | C2 | 178.3° | 180.0° |
| N | C3 | C11 | C12 | 178.6° | 180.0° |
| N | C3 | C2 | C1 | 178.3° | 180.0° |
| C3 | N | C4 | H9 | 179.9° | 180.0° |
| N | C3 | C2 | H10 | 1.7° | 0.0° |
| C3 | C11 | C12 | C | 0.3° | 0.1° |
| C11 | C3 | C2 | C1 | 0.4° | 0.0° |
| C3 | C11 | C12 | H1 | 179.7° | 179.7° |
| C11 | C3 | C2 | H10 | 179.5° | 180.0° |
| C11 | C3 | N | H11 | 179.6° | 180.0° |
| C12 | C11 | C3 | C2 | 0.3° | 0.0° |
| C11 | C12 | C | H1 | 180.0° | 179.6° |
| C11 | C12 | C | C1 | 0.3° | 0.0° |
| C11 | C12 | C | BR | 178.7° | 179.7° |
| C3 | C2 | C1 | H10 | 180.0° | 179.9° |
| C3 | C2 | C1 | C | 0.5° | 0.1° |
| C2 | C3 | N | H11 | 2.3° | 0.0° |
| C3 | C2 | C1 | CL1 | 16.7° | 180.0° |
| C12 | C | C1 | C2 | 0.5° | 0.0° |
| C12 | C | C1 | BR | 179.0° | 179.7° |
| C12 | C | C1 | CL1 | 30.0° | 179.9° |
| C2 | C1 | C | CL1 | 29.5° | 179.9° |
| C2 | C1 | C | BR | 178.6° | 179.8° |
| C1 | C | C12 | H1 | 179.7° | 179.7° |
| C | C1 | C2 | H10 | 179.5° | 180.0° |
| BR | C | C12 | H1 | 1.3° | 0.1° |
| BR | C | C1 | CL1 | 149.0° | 0.3° |
| H2 | C10 | C9 | H3 | 1.1° | 0.0° |
| H3 | C9 | C8 | H4 | 0.6° | 0.2° |
| H4 | C8 | N1 | H5 | 0.0° | 0.3° |
| H9 | C4 | N | H11 | 0.1° | 0.1° |
| H10 | C2 | C1 | CL1 | 163.3° | 0.1° |
