5T2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F27 | C24 | sing | 1.40Å | 1.35Å | |
| F25 | C24 | sing | 1.40Å | 1.35Å | |
| C24 | F26 | sing | 1.40Å | 1.35Å | |
| C24 | C13 | sing | 1.51Å | 1.52Å | |
| C13 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | N21 | doub | 1.32Å | 1.36Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| N21 | C22 | sing | 1.32Å | 1.37Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.39Å | 1.42Å | Aromatic |
| C11 | N9 | sing | 1.40Å | 1.42Å | |
| C11 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| N9 | C7 | sing | 1.35Å | 1.36Å | |
| C6 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| O10 | C7 | doub | 1.22Å | 1.22Å | |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C5 | sing | 1.47Å | 1.53Å | |
| C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.43Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C23 | sing | 1.39Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.51Å | 1.55Å | |
| C4 | C3 | sing | 1.39Å | 1.42Å | Aromatic |
| C4 | N8 | sing | 1.39Å | 1.37Å | |
| N8 | C17 | sing | 1.46Å | 1.47Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| N8 | H15 | sing | 0.97Å | 1.00Å | |
| N9 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F27 | C24 | F25 | 109.7° | 109.4° |
| F27 | C24 | F26 | 108.8° | 109.5° |
| F27 | C24 | C13 | 109.9° | 109.5° |
| F25 | C24 | F26 | 106.5° | 109.5° |
| F25 | C24 | C13 | 113.8° | 109.4° |
| F26 | C24 | C13 | 108.1° | 109.5° |
| C24 | C13 | C12 | 118.5° | 120.0° |
| C24 | C13 | C14 | 121.2° | 120.0° |
| C12 | C13 | C14 | 120.2° | 120.1° |
| C13 | C12 | C11 | 119.9° | 119.9° |
| C13 | C12 | H4 | 120.0° | 120.0° |
| C13 | C14 | C15 | 120.4° | 120.1° |
| C13 | C14 | H5 | 119.8° | 119.9° |
| N21 | C20 | C19 | 119.5° | 120.8° |
| C20 | N21 | C22 | 122.6° | 121.7° |
| N21 | C20 | H11 | 120.3° | 119.6° |
| C20 | C19 | C18 | 119.9° | 119.2° |
| C20 | C19 | H10 | 120.0° | 120.4° |
| C19 | C20 | H11 | 120.3° | 119.6° |
| C12 | C11 | N9 | 123.7° | 120.1° |
| C12 | C11 | C16 | 118.7° | 119.9° |
| C11 | C12 | H4 | 120.0° | 120.0° |
| N21 | C22 | C23 | 119.8° | 120.8° |
| N21 | C22 | H12 | 120.1° | 119.6° |
| C14 | C15 | C16 | 118.8° | 120.1° |
| C15 | C14 | H5 | 119.8° | 119.9° |
| C14 | C15 | H6 | 120.6° | 119.9° |
| C19 | C18 | C23 | 118.9° | 118.4° |
| C19 | C18 | C17 | 122.2° | 120.8° |
| C18 | C19 | H10 | 120.1° | 120.4° |
| N9 | C11 | C16 | 117.6° | 120.0° |
| C11 | N9 | C7 | 126.5° | 120.0° |
| C11 | N9 | H16 | 116.8° | 120.0° |
| C11 | C16 | C15 | 122.0° | 119.9° |
| C11 | C16 | H7 | 119.0° | 120.1° |
| N9 | C7 | O10 | 121.8° | 120.0° |
| N9 | C7 | C5 | 120.0° | 120.0° |
| C7 | N9 | H16 | 116.8° | 120.0° |
| C1 | C6 | C5 | 121.7° | 120.0° |
| C6 | C1 | C2 | 119.4° | 120.3° |
| C6 | C1 | H1 | 120.3° | 119.9° |
| C1 | C6 | H14 | 119.1° | 120.0° |
| C6 | C5 | C7 | 117.4° | 120.2° |
| C6 | C5 | C4 | 119.0° | 119.6° |
| C5 | C6 | H14 | 119.2° | 120.0° |
| O10 | C7 | C5 | 118.2° | 120.0° |
| C16 | C15 | H6 | 120.6° | 120.0° |
| C15 | C16 | H7 | 119.0° | 120.1° |
| C7 | C5 | C4 | 123.5° | 120.2° |
| C1 | C2 | C3 | 120.0° | 120.4° |
| C2 | C1 | H1 | 120.3° | 119.8° |
| C1 | C2 | H2 | 120.0° | 119.8° |
| C5 | C4 | C3 | 118.4° | 119.7° |
| C5 | C4 | N8 | 121.4° | 120.2° |
| C22 | C23 | C18 | 119.4° | 119.1° |
| C23 | C22 | H12 | 120.1° | 119.6° |
| C22 | C23 | H13 | 120.3° | 120.4° |
| C2 | C3 | C4 | 121.5° | 120.1° |
| C3 | C2 | H2 | 120.0° | 119.8° |
| C2 | C3 | H3 | 119.2° | 119.9° |
| C23 | C18 | C17 | 118.9° | 120.7° |
| C18 | C23 | H13 | 120.3° | 120.5° |
| C18 | C17 | N8 | 115.2° | 109.5° |
| C18 | C17 | H8 | 108.0° | 109.4° |
| C18 | C17 | H9 | 108.0° | 109.5° |
| C3 | C4 | N8 | 120.2° | 120.1° |
| C4 | C3 | H3 | 119.2° | 120.0° |
| C4 | N8 | C17 | 126.0° | 120.0° |
| C4 | N8 | H15 | 105.2° | 120.0° |
| N8 | C17 | H8 | 108.0° | 109.5° |
| N8 | C17 | H9 | 108.0° | 109.5° |
| C17 | N8 | H15 | 105.2° | 120.0° |
| H8 | C17 | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F27 | C24 | F25 | F26 | 117.6° | 120.0° |
| F27 | C24 | F25 | C13 | 123.5° | 120.0° |
| F27 | C24 | F26 | C13 | 119.2° | 120.0° |
| F27 | C24 | C13 | C12 | 35.3° | 150.0° |
| F27 | C24 | C13 | C14 | 147.9° | 30.0° |
| F25 | C24 | F26 | C13 | 122.6° | 120.0° |
| F25 | C24 | C13 | C12 | 158.8° | 30.1° |
| F25 | C24 | C13 | C14 | 24.5° | 150.0° |
| F26 | C24 | C13 | C12 | 83.2° | 89.9° |
| F26 | C24 | C13 | C14 | 93.5° | 90.0° |
| C24 | C13 | C12 | C14 | 176.8° | 180.0° |
| C24 | C13 | C12 | C11 | 177.3° | 180.0° |
| C24 | C13 | C14 | C15 | 177.8° | 180.0° |
| C24 | C13 | C12 | H4 | 2.7° | 0.1° |
| C24 | C13 | C14 | H5 | 2.2° | 0.0° |
| C13 | C12 | C11 | H4 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 1.1° | 0.1° |
| C13 | C12 | C11 | N9 | 179.4° | 179.9° |
| C13 | C12 | C11 | C16 | 0.3° | 0.3° |
| C12 | C13 | C14 | H5 | 178.9° | 179.9° |
| C14 | C13 | C12 | C11 | 0.5° | 0.0° |
| C13 | C14 | C15 | H5 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 1.4° | 0.3° |
| C14 | C13 | C12 | H4 | 179.5° | 179.9° |
| C13 | C14 | C15 | H6 | 178.6° | 180.0° |
| N21 | C20 | C19 | H11 | 180.0° | 180.0° |
| N21 | C20 | C19 | C18 | 0.6° | 0.0° |
| C20 | N21 | C22 | C23 | 0.3° | 0.6° |
| N21 | C20 | C19 | H10 | 179.5° | 180.0° |
| C20 | N21 | C22 | H12 | 179.7° | 180.0° |
| C19 | C20 | N21 | C22 | 0.1° | 0.3° |
| C20 | C19 | C18 | H10 | 180.0° | 180.0° |
| C20 | C19 | C18 | C23 | 0.7° | 0.0° |
| C20 | C19 | C18 | C17 | 179.8° | 179.7° |
| C12 | C11 | N9 | C16 | 179.6° | 179.8° |
| C12 | C11 | N9 | C7 | 42.2° | 144.1° |
| C12 | C11 | C16 | C15 | 0.7° | 0.6° |
| C12 | C11 | C16 | H7 | 179.3° | 179.7° |
| C12 | C11 | N9 | H16 | 137.7° | 35.8° |
| N21 | C22 | C23 | H12 | 180.0° | 179.4° |
| N21 | C22 | C23 | C18 | 0.1° | 0.6° |
| C22 | N21 | C20 | H11 | 180.0° | 179.7° |
| N21 | C22 | C23 | H13 | 180.0° | 179.4° |
| C14 | C15 | C16 | C11 | 1.2° | 0.6° |
| C14 | C15 | C16 | H6 | 180.0° | 179.6° |
| C14 | C15 | C16 | H7 | 178.8° | 179.7° |
| C19 | C18 | C23 | C22 | 0.4° | 0.3° |
| C19 | C18 | C23 | C17 | 179.1° | 179.7° |
| C19 | C18 | C17 | N8 | 10.5° | 89.7° |
| C19 | C18 | C17 | H8 | 131.3° | 30.3° |
| C19 | C18 | C17 | H9 | 110.4° | 150.3° |
| C18 | C19 | C20 | H11 | 179.5° | 180.0° |
| C19 | C18 | C23 | H13 | 179.6° | 179.7° |
| C11 | N9 | C7 | H16 | 180.0° | 179.9° |
| C11 | N9 | C7 | O10 | 3.1° | 4.6° |
| N9 | C11 | C16 | C15 | 179.0° | 179.7° |
| C11 | N9 | C7 | C5 | 178.6° | 175.5° |
| N9 | C11 | C12 | H4 | 0.6° | 0.0° |
| N9 | C11 | C16 | H7 | 1.0° | 0.1° |
| C16 | C11 | N9 | C7 | 138.1° | 35.7° |
| C11 | C16 | C15 | H7 | 180.0° | 179.7° |
| C16 | C11 | C12 | H4 | 179.8° | 179.8° |
| C11 | C16 | C15 | H6 | 178.8° | 179.8° |
| C16 | C11 | N9 | H16 | 41.9° | 144.4° |
| N9 | C7 | C5 | C6 | 17.8° | 5.9° |
| N9 | C7 | O10 | C5 | 178.4° | 180.0° |
| N9 | C7 | C5 | C4 | 159.4° | 174.4° |
| C1 | C6 | C5 | H14 | 180.0° | 179.4° |
| C1 | C6 | C5 | C7 | 178.8° | 179.7° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C1 | C6 | C5 | C4 | 1.4° | 0.6° |
| C6 | C1 | C2 | C3 | 0.8° | 0.3° |
| C6 | C1 | C2 | H2 | 179.2° | 179.7° |
| C6 | C5 | C7 | O10 | 160.6° | 174.0° |
| C6 | C5 | C7 | C4 | 177.2° | 179.7° |
| C5 | C6 | C1 | C2 | 0.1° | 0.6° |
| C6 | C5 | C4 | C3 | 2.1° | 0.3° |
| C6 | C5 | C4 | N8 | 179.8° | 179.7° |
| C5 | C6 | C1 | H1 | 179.9° | 179.7° |
| O10 | C7 | C5 | C4 | 22.1° | 5.7° |
| O10 | C7 | N9 | H16 | 176.9° | 175.5° |
| C16 | C15 | C14 | H5 | 178.6° | 179.7° |
| C7 | C5 | C4 | C3 | 179.3° | 180.0° |
| C7 | C5 | C4 | N8 | 3.0° | 0.0° |
| C7 | C5 | C6 | H14 | 1.2° | 0.3° |
| C5 | C7 | N9 | H16 | 1.5° | 4.4° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C1 | C2 | C3 | H3 | 180.0° | 179.9° |
| C2 | C1 | C6 | H14 | 179.9° | 180.0° |
| C5 | C4 | C3 | C2 | 1.5° | 0.1° |
| C5 | C4 | C3 | N8 | 177.7° | 179.9° |
| C5 | C4 | N8 | C17 | 176.0° | 173.3° |
| C5 | C4 | C3 | H3 | 178.5° | 179.9° |
| C4 | C5 | C6 | H14 | 178.6° | 180.0° |
| C5 | C4 | N8 | H15 | 53.8° | 6.7° |
| C22 | C23 | C18 | H13 | 180.0° | 180.0° |
| C22 | C23 | C18 | C17 | 179.5° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | N8 | 179.2° | 180.0° |
| C3 | C2 | C1 | H1 | 179.2° | 180.0° |
| C23 | C18 | C17 | N8 | 170.5° | 90.0° |
| C23 | C18 | C17 | H8 | 49.7° | 150.0° |
| C23 | C18 | C17 | H9 | 68.6° | 30.0° |
| C23 | C18 | C19 | H10 | 179.3° | 180.0° |
| C18 | C23 | C22 | H12 | 179.9° | 180.0° |
| C18 | C17 | N8 | C4 | 75.9° | 180.0° |
| C18 | C17 | N8 | H8 | 120.9° | 120.0° |
| C18 | C17 | N8 | H9 | 120.9° | 120.1° |
| C18 | C17 | H8 | H9 | 117.4° | 120.0° |
| C17 | C18 | C19 | H10 | 0.3° | 0.3° |
| C17 | C18 | C23 | H13 | 0.5° | 0.0° |
| C18 | C17 | N8 | H15 | 46.3° | 0.1° |
| C3 | C4 | N8 | C17 | 1.7° | 6.7° |
| C4 | C3 | C2 | H2 | 179.9° | 180.0° |
| C3 | C4 | N8 | H15 | 123.9° | 173.2° |
| C4 | N8 | C17 | H15 | 122.2° | 180.0° |
| N8 | C4 | C3 | H3 | 0.8° | 0.0° |
| C4 | N8 | C17 | H8 | 45.0° | 60.0° |
| C4 | N8 | C17 | H9 | 163.3° | 60.0° |
| N8 | C17 | H8 | H9 | 117.3° | 120.0° |
| H1 | C1 | C2 | H2 | 0.8° | 0.0° |
| H1 | C1 | C6 | H14 | 0.1° | 0.3° |
| H2 | C2 | C3 | H3 | 0.0° | 0.0° |
| H5 | C14 | C15 | H6 | 1.4° | 0.0° |
| H6 | C15 | C16 | H7 | 1.2° | 0.0° |
| H8 | C17 | N8 | H15 | 167.2° | 120.0° |
| H9 | C17 | N8 | H15 | 74.5° | 120.0° |
| H10 | C19 | C20 | H11 | 0.5° | 0.0° |
| H12 | C22 | C23 | H13 | 0.1° | 0.0° |
