K6F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.42Å | 1.45Å | Aromatic |
| C1 | N3 | sing | 1.34Å | 1.40Å | Aromatic |
| C1 | C4 | sing | 1.41Å | 1.43Å | Aromatic |
| C2 | N5 | sing | 1.34Å | 1.37Å | Aromatic |
| C2 | C6 | sing | 1.41Å | 1.44Å | Aromatic |
| N3 | C7 | doub | 1.31Å | 1.32Å | Aromatic |
| C4 | C8 | doub | 1.36Å | 1.39Å | Aromatic |
| N5 | C9 | doub | 1.31Å | 1.34Å | Aromatic |
| C7 | C9 | sing | 1.40Å | 1.47Å | Aromatic |
| C6 | C10 | doub | 1.36Å | 1.39Å | Aromatic |
| C8 | C10 | sing | 1.40Å | 1.44Å | Aromatic |
| C7 | C11 | sing | 1.51Å | 1.47Å | |
| C8 | CL12 | sing | 1.74Å | 1.74Å | |
| C9 | C13 | sing | 1.51Å | 1.47Å | |
| C4 | H14 | sing | 1.08Å | 1.08Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N3 | 122.5° | 119.6° |
| C2 | C1 | C4 | 118.8° | 119.4° |
| C1 | C2 | N5 | 119.3° | 119.6° |
| C1 | C2 | C6 | 119.6° | 119.3° |
| N3 | C1 | C4 | 118.7° | 121.1° |
| C1 | N3 | C7 | 117.4° | 119.7° |
| C1 | C4 | C8 | 121.7° | 119.7° |
| C1 | C4 | H14 | 119.2° | 120.2° |
| N5 | C2 | C6 | 121.1° | 121.1° |
| C2 | N5 | C9 | 117.1° | 119.7° |
| C2 | C6 | C10 | 119.3° | 119.7° |
| C2 | C6 | H15 | 120.4° | 120.1° |
| N3 | C7 | C9 | 119.6° | 120.7° |
| N3 | C7 | C11 | 122.7° | 119.6° |
| C4 | C8 | C10 | 118.6° | 120.9° |
| C4 | C8 | CL12 | 118.5° | 119.6° |
| C8 | C4 | H14 | 119.2° | 120.1° |
| N5 | C9 | C7 | 124.0° | 120.7° |
| N5 | C9 | C13 | 119.2° | 119.7° |
| C9 | C7 | C11 | 117.6° | 119.6° |
| C7 | C9 | C13 | 116.7° | 119.6° |
| C6 | C10 | C8 | 122.1° | 121.0° |
| C10 | C6 | H15 | 120.3° | 120.2° |
| C6 | C10 | H16 | 119.0° | 119.5° |
| C10 | C8 | CL12 | 122.8° | 119.5° |
| C8 | C10 | H16 | 118.9° | 119.5° |
| C7 | C11 | H17 | 109.5° | 109.5° |
| C7 | C11 | H19 | 109.5° | 109.5° |
| C7 | C11 | H18 | 109.5° | 109.4° |
| C9 | C13 | H21 | 109.5° | 109.5° |
| C9 | C13 | H20 | 109.4° | 109.5° |
| C9 | C13 | H22 | 109.4° | 109.5° |
| H17 | C11 | H19 | 109.4° | 109.4° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H19 | C11 | H18 | 109.5° | 109.5° |
| H21 | C13 | H20 | 109.5° | 109.5° |
| H21 | C13 | H22 | 109.5° | 109.4° |
| H20 | C13 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N3 | C4 | 179.7° | 179.7° |
| C1 | C2 | N5 | C6 | 179.0° | 180.0° |
| C2 | C1 | N3 | C7 | 0.1° | 0.0° |
| C2 | C1 | C4 | C8 | 0.9° | 0.0° |
| C1 | C2 | N5 | C9 | 0.5° | 0.0° |
| C1 | C2 | C6 | C10 | 1.1° | 0.0° |
| C2 | C1 | C4 | H14 | 179.1° | 180.0° |
| C1 | C2 | C6 | H15 | 178.9° | 180.0° |
| N3 | C1 | C2 | N5 | 1.0° | 0.0° |
| N3 | C1 | C2 | C6 | 179.9° | 180.0° |
| N3 | C1 | C4 | C8 | 178.8° | 179.7° |
| C1 | N3 | C7 | C9 | 1.2° | 0.0° |
| C1 | N3 | C7 | C11 | 179.1° | 180.0° |
| N3 | C1 | C4 | H14 | 1.2° | 0.3° |
| C4 | C1 | C2 | N5 | 178.7° | 179.8° |
| C4 | C1 | C2 | C6 | 0.4° | 0.3° |
| C4 | C1 | N3 | C7 | 179.6° | 179.8° |
| C1 | C4 | C8 | H14 | 180.0° | 180.0° |
| C1 | C4 | C8 | C10 | 1.4° | 0.5° |
| C1 | C4 | C8 | CL12 | 179.6° | 180.0° |
| C2 | N5 | C9 | C7 | 0.7° | 0.0° |
| N5 | C2 | C6 | C10 | 177.9° | 180.0° |
| C2 | N5 | C9 | C13 | 179.7° | 179.9° |
| N5 | C2 | C6 | H15 | 2.1° | 0.0° |
| C6 | C2 | N5 | C9 | 179.6° | 180.0° |
| C2 | C6 | C10 | H15 | 180.0° | 180.0° |
| C2 | C6 | C10 | C8 | 0.6° | 0.5° |
| C2 | C6 | C10 | H16 | 179.4° | 180.0° |
| N3 | C7 | C9 | N5 | 1.7° | 0.0° |
| N3 | C7 | C9 | C11 | 178.0° | 180.0° |
| N3 | C7 | C9 | C13 | 179.3° | 179.9° |
| N3 | C7 | C11 | H17 | 0.0° | 90.0° |
| N3 | C7 | C11 | H19 | 120.0° | 150.0° |
| N3 | C7 | C11 | H18 | 120.0° | 30.0° |
| C4 | C8 | C10 | C6 | 0.6° | 0.8° |
| C4 | C8 | C10 | CL12 | 179.0° | 179.4° |
| C4 | C8 | C10 | H16 | 179.4° | 179.7° |
| N5 | C9 | C7 | C13 | 179.0° | 180.0° |
| N5 | C9 | C7 | C11 | 179.7° | 180.0° |
| N5 | C9 | C13 | H21 | 0.0° | 90.0° |
| N5 | C9 | C13 | H20 | 120.0° | 150.0° |
| N5 | C9 | C13 | H22 | 120.0° | 29.9° |
| C9 | C7 | C11 | H17 | 177.9° | 90.0° |
| C9 | C7 | C11 | H19 | 58.0° | 30.0° |
| C9 | C7 | C11 | H18 | 62.1° | 150.0° |
| C7 | C9 | C13 | H21 | 179.1° | 90.0° |
| C7 | C9 | C13 | H20 | 59.1° | 30.0° |
| C7 | C9 | C13 | H22 | 60.9° | 150.0° |
| C6 | C10 | C8 | H16 | 180.0° | 179.5° |
| C6 | C10 | C8 | CL12 | 179.6° | 179.8° |
| C10 | C8 | C4 | H14 | 178.7° | 179.5° |
| C8 | C10 | C6 | H15 | 179.3° | 179.5° |
| C11 | C7 | C9 | C13 | 1.3° | 0.0° |
| C7 | C11 | H17 | H19 | 120.0° | 120.0° |
| C7 | C11 | H17 | H18 | 120.0° | 120.0° |
| C7 | C11 | H19 | H18 | 120.0° | 120.0° |
| CL12 | C8 | C4 | H14 | 0.4° | 0.0° |
| CL12 | C8 | C10 | H16 | 0.4° | 0.2° |
| C9 | C13 | H21 | H20 | 120.0° | 120.0° |
| C9 | C13 | H21 | H22 | 120.0° | 119.9° |
| C9 | C13 | H20 | H22 | 120.0° | 120.0° |
| H15 | C6 | C10 | H16 | 0.7° | 0.0° |
| H17 | C11 | H19 | H18 | 120.0° | 120.0° |
| H21 | C13 | H20 | H22 | 120.0° | 120.0° |
