Z13
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C16 | sing | 1.40Å | 1.32Å | |
| F4 | C16 | sing | 1.40Å | 1.31Å | |
| F3 | C16 | sing | 1.40Å | 1.34Å | |
| C16 | C15 | sing | 1.51Å | 1.49Å | |
| C15 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C1 | sing | 1.51Å | 1.47Å | |
| C1 | N1 | sing | 1.47Å | 1.43Å | |
| C2 | N1 | doub | 1.29Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | H8 | sing | 1.08Å | 1.08Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| C7 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.48Å | 51.21Å | |
| C3 | C9 | sing | 1.40Å | 0.00Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 0.00Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 0.00Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 0.00Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 0.00Å | Aromatic |
| C13 | C3 | doub | 1.40Å | 0.00Å | Aromatic |
| C11 | C14 | sing | 1.51Å | 0.00Å | |
| C9 | H3 | sing | 1.08Å | 0.00Å | |
| C10 | H4 | sing | 1.08Å | 0.00Å | |
| C12 | H6 | sing | 1.08Å | 0.00Å | |
| C13 | H7 | sing | 1.08Å | 0.00Å | |
| C14 | F6 | sing | 1.40Å | 0.00Å | |
| C14 | F5 | sing | 1.40Å | 0.00Å | |
| C14 | F1 | sing | 1.40Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C16 | F4 | 108.8° | 109.5° |
| F2 | C16 | F3 | 107.3° | 109.5° |
| F2 | C16 | C15 | 111.3° | 109.5° |
| F4 | C16 | F3 | 111.4° | 109.5° |
| F4 | C16 | C15 | 109.4° | 109.5° |
| F3 | C16 | C15 | 108.6° | 109.5° |
| C16 | C15 | C7 | 121.3° | 120.0° |
| C16 | C15 | C8 | 121.8° | 120.0° |
| C7 | C15 | C8 | 116.9° | 120.0° |
| C15 | C7 | C6 | 121.9° | 120.0° |
| C15 | C7 | H10 | 119.0° | 120.0° |
| C15 | C8 | C4 | 121.7° | 120.0° |
| C15 | C8 | H11 | 119.2° | 120.0° |
| C7 | C6 | C5 | 120.8° | 120.0° |
| C7 | C6 | H9 | 119.6° | 120.0° |
| C6 | C7 | H10 | 119.0° | 120.0° |
| C8 | C4 | C5 | 121.0° | 120.0° |
| C8 | C4 | H8 | 119.5° | 120.0° |
| C4 | C8 | H11 | 119.2° | 120.0° |
| C4 | C5 | C6 | 117.6° | 120.0° |
| C4 | C5 | C1 | 120.7° | 120.0° |
| C5 | C4 | H8 | 119.5° | 120.0° |
| C6 | C5 | C1 | 121.4° | 120.0° |
| C5 | C6 | H9 | 119.6° | 120.0° |
| C5 | C1 | N1 | 107.2° | 109.5° |
| C5 | C1 | H1 | 110.1° | 109.4° |
| C5 | C1 | H2 | 110.1° | 109.4° |
| C1 | N1 | C2 | 110.3° | 120.0° |
| N1 | C1 | H1 | 110.0° | 109.5° |
| N1 | C1 | H2 | 110.0° | 109.5° |
| N1 | C2 | H5 | 133.1° | 120.0° |
| N1 | C2 | C3 | 93.7° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H5 | C2 | C3 | 133.1° | 120.0° |
| C2 | C3 | C9 | 90.0° | 120.2° |
| C2 | C3 | C13 | 90.0° | 120.1° |
| C3 | C9 | C10 | 90.0° | 119.8° |
| C9 | C3 | C13 | 90.0° | 119.7° |
| C3 | C9 | H3 | 90.0° | 120.0° |
| C9 | C10 | C11 | 90.0° | 120.2° |
| C10 | C9 | H3 | 90.0° | 120.1° |
| C9 | C10 | H4 | 90.0° | 119.9° |
| C10 | C11 | C12 | 90.0° | 120.3° |
| C10 | C11 | C14 | 90.0° | 119.9° |
| C11 | C10 | H4 | 90.0° | 119.9° |
| C11 | C12 | C13 | 90.0° | 120.2° |
| C12 | C11 | C14 | 90.0° | 119.9° |
| C11 | C12 | H6 | 90.0° | 119.9° |
| C12 | C13 | C3 | 90.0° | 119.8° |
| C13 | C12 | H6 | 90.0° | 119.9° |
| C12 | C13 | H7 | 90.0° | 120.1° |
| C3 | C13 | H7 | 90.0° | 120.1° |
| C11 | C14 | F6 | 90.0° | 109.5° |
| C11 | C14 | F5 | 90.0° | 109.5° |
| C11 | C14 | F1 | 90.0° | 109.5° |
| F6 | C14 | F5 | 90.0° | 109.4° |
| F6 | C14 | F1 | 90.0° | 109.5° |
| F5 | C14 | F1 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C16 | F4 | F3 | 118.0° | 120.0° |
| F2 | C16 | F4 | C15 | 121.8° | 120.0° |
| F2 | C16 | F3 | C15 | 120.5° | 120.0° |
| F2 | C16 | C15 | C7 | 150.1° | 90.1° |
| F2 | C16 | C15 | C8 | 28.6° | 89.7° |
| F4 | C16 | F3 | C15 | 120.6° | 120.0° |
| F4 | C16 | C15 | C7 | 89.6° | 150.0° |
| F4 | C16 | C15 | C8 | 91.7° | 30.3° |
| F3 | C16 | C15 | C7 | 32.2° | 30.0° |
| F3 | C16 | C15 | C8 | 146.5° | 150.2° |
| C16 | C15 | C7 | C8 | 178.7° | 179.8° |
| C16 | C15 | C7 | C6 | 179.4° | 179.9° |
| C16 | C15 | C8 | C4 | 178.7° | 179.7° |
| C16 | C15 | C7 | H10 | 0.6° | 0.1° |
| C16 | C15 | C8 | H11 | 1.3° | 0.2° |
| C15 | C7 | C6 | H10 | 180.0° | 180.0° |
| C7 | C15 | C8 | C4 | 0.0° | 0.5° |
| C15 | C7 | C6 | C5 | 0.9° | 0.0° |
| C15 | C7 | C6 | H9 | 179.1° | 180.0° |
| C7 | C15 | C8 | H11 | 180.0° | 180.0° |
| C8 | C15 | C7 | C6 | 0.7° | 0.3° |
| C15 | C8 | C4 | H11 | 180.0° | 179.5° |
| C15 | C8 | C4 | C5 | 2.3° | 0.5° |
| C15 | C8 | C4 | H8 | 177.7° | 179.7° |
| C8 | C15 | C7 | H10 | 179.3° | 179.7° |
| C7 | C6 | C5 | C4 | 3.0° | 0.0° |
| C7 | C6 | C5 | H9 | 180.0° | 180.0° |
| C7 | C6 | C5 | C1 | 176.5° | 180.0° |
| C8 | C4 | C5 | H8 | 180.0° | 179.7° |
| C8 | C4 | C5 | C6 | 3.7° | 0.3° |
| C8 | C4 | C5 | C1 | 177.3° | 179.7° |
| C4 | C5 | C6 | C1 | 173.5° | 180.0° |
| C4 | C5 | C1 | N1 | 76.2° | 90.0° |
| C4 | C5 | C1 | H1 | 43.4° | 30.0° |
| C4 | C5 | C1 | H2 | 164.1° | 150.0° |
| C4 | C5 | C6 | H9 | 177.0° | 180.0° |
| C5 | C4 | C8 | H11 | 177.7° | 180.0° |
| C6 | C5 | C1 | N1 | 97.1° | 90.0° |
| C6 | C5 | C1 | H1 | 143.3° | 150.0° |
| C6 | C5 | C1 | H2 | 22.6° | 30.0° |
| C6 | C5 | C4 | H8 | 176.3° | 180.0° |
| C5 | C6 | C7 | H10 | 179.1° | 180.0° |
| C5 | C1 | N1 | H1 | 119.6° | 120.0° |
| C5 | C1 | N1 | H2 | 119.7° | 120.0° |
| C5 | C1 | N1 | C2 | 80.4° | 115.0° |
| C5 | C1 | H1 | H2 | 121.1° | 119.9° |
| C1 | C5 | C4 | H8 | 2.7° | 0.0° |
| C1 | C5 | C6 | H9 | 3.5° | 0.0° |
| N1 | C1 | H1 | H2 | 121.0° | 120.1° |
| C1 | N1 | C2 | H5 | 37.0° | 0.1° |
| C1 | N1 | C2 | C3 | 143.0° | 180.0° |
| C2 | N1 | C1 | H1 | 39.2° | 125.0° |
| C2 | N1 | C1 | H2 | 159.9° | 4.9° |
| N1 | C2 | H5 | C3 | 180.0° | 180.0° |
| N1 | C2 | C3 | C9 | 90.0° | 180.0° |
| N1 | C2 | C3 | C13 | 90.0° | 0.3° |
| H5 | C2 | C3 | C9 | 90.0° | 0.0° |
| H5 | C2 | C3 | C13 | 90.0° | 179.7° |
| H8 | C4 | C8 | H11 | 2.3° | 0.2° |
| H9 | C6 | C7 | H10 | 0.9° | 0.0° |
| C2 | C3 | C9 | C13 | 90.0° | 179.8° |
| C2 | C3 | C9 | C10 | 90.0° | 180.0° |
| C2 | C3 | C13 | C12 | 90.0° | 179.8° |
| C2 | C3 | C9 | H3 | 90.0° | 0.0° |
| C2 | C3 | C13 | H7 | 90.0° | 0.3° |
| C3 | C9 | C10 | H3 | 90.0° | 179.9° |
| C3 | C9 | C10 | C11 | 90.0° | 0.1° |
| C9 | C3 | C13 | C12 | 90.0° | 0.5° |
| C3 | C9 | C10 | H4 | 90.0° | 180.0° |
| C9 | C3 | C13 | H7 | 90.0° | 180.0° |
| C9 | C10 | C11 | H4 | 90.0° | 180.0° |
| C9 | C10 | C11 | C12 | 90.0° | 0.0° |
| C10 | C9 | C3 | C13 | 90.0° | 0.2° |
| C9 | C10 | C11 | C14 | 90.0° | 180.0° |
| C10 | C11 | C12 | C14 | 90.0° | 180.0° |
| C10 | C11 | C12 | C13 | 90.0° | 0.3° |
| C11 | C10 | C9 | H3 | 90.0° | 180.0° |
| C10 | C11 | C12 | H6 | 90.0° | 179.9° |
| C10 | C11 | C14 | F6 | 90.0° | 90.0° |
| C10 | C11 | C14 | F5 | 90.0° | 150.0° |
| C10 | C11 | C14 | F1 | 90.0° | 30.0° |
| C11 | C12 | C13 | H6 | 90.0° | 179.8° |
| C11 | C12 | C13 | C3 | 90.0° | 0.5° |
| C12 | C11 | C10 | H4 | 90.0° | 180.0° |
| C11 | C12 | C13 | H7 | 90.0° | 180.0° |
| C12 | C11 | C14 | F6 | 90.0° | 90.0° |
| C12 | C11 | C14 | F5 | 90.0° | 30.0° |
| C12 | C11 | C14 | F1 | 90.0° | 150.0° |
| C12 | C13 | C3 | H7 | 90.0° | 179.5° |
| C13 | C12 | C11 | C14 | 90.0° | 179.7° |
| C13 | C3 | C9 | H3 | 90.0° | 179.7° |
| C3 | C13 | C12 | H6 | 90.0° | 179.7° |
| C14 | C11 | C10 | H4 | 90.0° | 0.0° |
| C14 | C11 | C12 | H6 | 90.0° | 0.1° |
| C11 | C14 | F6 | F5 | 90.0° | 120.0° |
| C11 | C14 | F6 | F1 | 90.0° | 120.0° |
| C11 | C14 | F5 | F1 | 90.0° | 120.0° |
| H3 | C9 | C10 | H4 | 90.0° | 0.0° |
| H6 | C12 | C13 | H7 | 90.0° | 0.2° |
| F6 | C14 | F5 | F1 | 90.0° | 120.0° |
