PF7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | C18 | doub | 1.24Å | 1.24Å | |
| C18 | N15 | sing | 1.34Å | 1.34Å | |
| C18 | OXT | sing | 1.33Å | 1.33Å | |
| N15 | C16 | sing | 1.47Å | 1.47Å | |
| N15 | C14 | sing | 1.47Å | 1.47Å | |
| C16 | C17 | sing | 1.54Å | 1.54Å | |
| C17 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.52Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C11 | C9 | sing | 1.51Å | 1.51Å | |
| C9 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.41Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.41Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | N7 | doub | 1.39Å | 1.39Å | Aromatic |
| N7 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| OXT | HOT | sing | 0.95Å | 0.95Å | |
| C16 | H161 | sing | 1.10Å | 1.10Å | |
| C16 | H162 | sing | 1.10Å | 1.10Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C17 | H171 | sing | 1.10Å | 1.10Å | |
| C17 | H172 | sing | 1.10Å | 1.10Å | |
| C12 | H12 | sing | 1.10Å | 1.10Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H112 | sing | 1.10Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | C18 | N15 | 120.9° | 120.9° |
| O19 | C18 | OXT | 107.4° | 107.4° |
| N15 | C18 | OXT | 131.6° | 131.6° |
| C18 | N15 | C16 | 123.5° | 123.5° |
| C18 | N15 | C14 | 119.5° | 119.5° |
| C18 | OXT | HOT | 109.5° | 109.5° |
| C16 | N15 | C14 | 116.9° | 116.9° |
| N15 | C16 | C17 | 104.7° | 104.7° |
| N15 | C16 | H161 | 111.1° | 111.1° |
| N15 | C16 | H162 | 112.1° | 112.1° |
| N15 | C14 | C13 | 107.6° | 107.6° |
| N15 | C14 | H141 | 110.1° | 110.1° |
| N15 | C14 | H142 | 110.5° | 110.5° |
| C16 | C17 | C12 | 112.5° | 112.5° |
| C17 | C16 | H161 | 111.1° | 111.1° |
| C17 | C16 | H162 | 112.2° | 112.1° |
| C16 | C17 | H171 | 108.5° | 108.5° |
| C16 | C17 | H172 | 107.8° | 107.8° |
| C17 | C12 | C13 | 108.3° | 108.3° |
| C17 | C12 | C11 | 110.8° | 110.8° |
| C12 | C17 | H171 | 108.5° | 108.5° |
| C12 | C17 | H172 | 107.8° | 107.8° |
| C17 | C12 | H12 | 109.4° | 109.3° |
| C13 | C12 | C11 | 109.4° | 109.4° |
| C12 | C13 | C14 | 110.3° | 110.3° |
| C13 | C12 | H12 | 110.7° | 110.8° |
| C12 | C13 | H131 | 109.2° | 109.2° |
| C12 | C13 | H132 | 109.0° | 109.0° |
| C12 | C11 | C9 | 110.6° | 110.6° |
| C11 | C12 | H12 | 108.3° | 108.3° |
| C12 | C11 | H111 | 109.1° | 109.1° |
| C12 | C11 | H112 | 108.8° | 108.8° |
| C13 | C14 | H141 | 110.1° | 110.1° |
| C13 | C14 | H142 | 110.5° | 110.5° |
| C14 | C13 | H131 | 109.2° | 109.2° |
| C14 | C13 | H132 | 109.0° | 109.0° |
| C11 | C9 | C10 | 121.1° | 121.1° |
| C11 | C9 | C8 | 119.0° | 119.0° |
| C9 | C11 | H111 | 109.1° | 109.1° |
| C9 | C11 | H112 | 108.8° | 108.8° |
| C10 | C9 | C8 | 119.9° | 119.9° |
| C9 | C10 | C3 | 119.5° | 119.5° |
| C9 | C10 | H10 | 120.2° | 120.2° |
| C9 | C8 | N7 | 120.9° | 120.9° |
| C9 | C8 | H8 | 119.5° | 119.5° |
| C10 | C3 | C4 | 120.1° | 120.1° |
| C10 | C3 | C2 | 120.5° | 120.5° |
| C3 | C10 | H10 | 120.2° | 120.2° |
| C4 | C3 | C2 | 119.4° | 119.4° |
| C3 | C4 | C5 | 120.0° | 120.0° |
| C3 | C4 | H4 | 120.0° | 120.0° |
| C3 | C2 | C1 | 120.8° | 120.8° |
| C3 | C2 | N7 | 119.6° | 119.6° |
| C4 | C5 | C6 | 120.6° | 120.6° |
| C5 | C4 | H4 | 120.0° | 120.0° |
| C4 | C5 | H5 | 119.7° | 119.7° |
| C5 | C6 | C1 | 119.9° | 119.9° |
| C6 | C5 | H5 | 119.7° | 119.7° |
| C5 | C6 | H6 | 120.1° | 120.1° |
| C6 | C1 | C2 | 119.3° | 119.3° |
| C1 | C6 | H6 | 120.1° | 120.1° |
| C6 | C1 | H1 | 120.3° | 120.3° |
| C1 | C2 | N7 | 119.6° | 119.6° |
| C2 | C1 | H1 | 120.3° | 120.3° |
| C2 | N7 | C8 | 119.5° | 119.5° |
| N7 | C8 | H8 | 119.5° | 119.5° |
| H161 | C16 | H162 | 105.8° | 105.8° |
| H141 | C14 | H142 | 108.0° | 108.0° |
| H171 | C17 | H172 | 111.8° | 111.8° |
| H131 | C13 | H132 | 110.1° | 110.1° |
| H111 | C11 | H112 | 110.4° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | C18 | N15 | OXT | 177.2° | 177.2° |
| O19 | C18 | N15 | C16 | 0.4° | 0.4° |
| O19 | C18 | N15 | C14 | 178.8° | 178.8° |
| O19 | C18 | OXT | HOT | 0.0° | 0.0° |
| C18 | N15 | C16 | C14 | 179.2° | 179.2° |
| C18 | N15 | C16 | C17 | 121.1° | 121.1° |
| C18 | N15 | C14 | C13 | 119.6° | 119.6° |
| N15 | C18 | OXT | HOT | 177.5° | 177.5° |
| C18 | N15 | C16 | H161 | 1.1° | 1.1° |
| C18 | N15 | C16 | H162 | 117.1° | 117.1° |
| C18 | N15 | C14 | H141 | 120.4° | 120.4° |
| C18 | N15 | C14 | H142 | 1.2° | 1.2° |
| OXT | C18 | N15 | C16 | 177.6° | 177.6° |
| OXT | C18 | N15 | C14 | 1.6° | 1.6° |
| N15 | C16 | C17 | H161 | 120.0° | 120.0° |
| N15 | C16 | C17 | H162 | 121.8° | 121.8° |
| N15 | C16 | C17 | C12 | 57.0° | 57.0° |
| C16 | N15 | C14 | C13 | 61.2° | 61.2° |
| N15 | C16 | H161 | H162 | 121.9° | 122.0° |
| C16 | N15 | C14 | H141 | 58.8° | 58.8° |
| C16 | N15 | C14 | H142 | 178.0° | 178.0° |
| N15 | C16 | C17 | H171 | 63.0° | 63.0° |
| N15 | C16 | C17 | H172 | 175.7° | 175.7° |
| C14 | N15 | C16 | C17 | 59.7° | 59.7° |
| N15 | C14 | C13 | C12 | 57.1° | 57.1° |
| N15 | C14 | C13 | H141 | 120.0° | 120.0° |
| N15 | C14 | C13 | H142 | 120.7° | 120.7° |
| C14 | N15 | C16 | H161 | 179.7° | 179.7° |
| C14 | N15 | C16 | H162 | 62.1° | 62.1° |
| N15 | C14 | H141 | H142 | 120.7° | 120.7° |
| N15 | C14 | C13 | H131 | 62.9° | 62.9° |
| N15 | C14 | C13 | H132 | 176.8° | 176.8° |
| C16 | C17 | C12 | H171 | 120.0° | 120.0° |
| C16 | C17 | C12 | H172 | 118.7° | 118.7° |
| C16 | C17 | C12 | C13 | 59.3° | 59.3° |
| C16 | C17 | C12 | C11 | 179.2° | 179.2° |
| C17 | C16 | H161 | H162 | 122.0° | 121.9° |
| C16 | C17 | H171 | H172 | 118.8° | 118.8° |
| C16 | C17 | C12 | H12 | 61.5° | 61.5° |
| C17 | C12 | C13 | C11 | 120.8° | 120.8° |
| C17 | C12 | C13 | H12 | 119.9° | 119.9° |
| C17 | C12 | C11 | H12 | 119.9° | 119.9° |
| C17 | C12 | C13 | C14 | 57.8° | 57.8° |
| C17 | C12 | C11 | C9 | 88.6° | 88.6° |
| C12 | C17 | C16 | H161 | 177.0° | 177.0° |
| C12 | C17 | C16 | H162 | 64.8° | 64.8° |
| C12 | C17 | H171 | H172 | 118.7° | 118.7° |
| C17 | C12 | C13 | H131 | 62.2° | 62.2° |
| C17 | C12 | C13 | H132 | 177.5° | 177.5° |
| C17 | C12 | C11 | H111 | 151.4° | 151.4° |
| C17 | C12 | C11 | H112 | 30.9° | 30.9° |
| C13 | C12 | C11 | H12 | 120.8° | 120.8° |
| C12 | C13 | C14 | H131 | 120.0° | 120.0° |
| C12 | C13 | C14 | H132 | 119.7° | 119.7° |
| C13 | C12 | C11 | C9 | 152.1° | 152.1° |
| C12 | C13 | C14 | H141 | 62.9° | 62.9° |
| C12 | C13 | C14 | H142 | 177.8° | 177.8° |
| C13 | C12 | C17 | H171 | 60.7° | 60.8° |
| C13 | C12 | C17 | H172 | 178.0° | 178.0° |
| C12 | C13 | H131 | H132 | 119.7° | 119.7° |
| C13 | C12 | C11 | H111 | 32.1° | 32.1° |
| C13 | C12 | C11 | H112 | 88.4° | 88.4° |
| C11 | C12 | C13 | C14 | 178.6° | 178.6° |
| C12 | C11 | C9 | H111 | 120.0° | 120.0° |
| C12 | C11 | C9 | H112 | 119.5° | 119.5° |
| C12 | C11 | C9 | C10 | 93.5° | 93.5° |
| C12 | C11 | C9 | C8 | 86.9° | 86.9° |
| C11 | C12 | C17 | H171 | 59.2° | 59.2° |
| C11 | C12 | C17 | H172 | 62.1° | 62.1° |
| C11 | C12 | C13 | H131 | 58.6° | 58.6° |
| C11 | C12 | C13 | H132 | 61.7° | 61.7° |
| C12 | C11 | H111 | H112 | 119.5° | 119.5° |
| C13 | C14 | H141 | H142 | 120.7° | 120.7° |
| C14 | C13 | C12 | H12 | 62.1° | 62.1° |
| C14 | C13 | H131 | H132 | 119.7° | 119.7° |
| C11 | C9 | C10 | C8 | 179.6° | 179.6° |
| C11 | C9 | C10 | C3 | 180.0° | 180.0° |
| C11 | C9 | C8 | N7 | 179.2° | 179.2° |
| C9 | C11 | C12 | H12 | 31.3° | 31.3° |
| C9 | C11 | H111 | H112 | 119.5° | 119.5° |
| C11 | C9 | C10 | H10 | 0.1° | 0.1° |
| C11 | C9 | C8 | H8 | 0.8° | 0.8° |
| C9 | C10 | C3 | H10 | 180.0° | 180.0° |
| C9 | C10 | C3 | C4 | 179.5° | 179.5° |
| C9 | C10 | C3 | C2 | 0.6° | 0.6° |
| C10 | C9 | C8 | N7 | 0.4° | 0.4° |
| C10 | C9 | C11 | H111 | 146.5° | 146.5° |
| C10 | C9 | C11 | H112 | 26.0° | 26.0° |
| C10 | C9 | C8 | H8 | 179.6° | 179.6° |
| C8 | C9 | C10 | C3 | 0.5° | 0.5° |
| C9 | C8 | N7 | C2 | 1.1° | 1.1° |
| C9 | C8 | N7 | H8 | 180.0° | 180.0° |
| C8 | C9 | C11 | H111 | 33.0° | 33.0° |
| C8 | C9 | C11 | H112 | 153.6° | 153.6° |
| C8 | C9 | C10 | H10 | 179.5° | 179.5° |
| C10 | C3 | C4 | C2 | 179.9° | 179.9° |
| C10 | C3 | C4 | C5 | 179.8° | 179.8° |
| C10 | C3 | C2 | C1 | 179.5° | 179.5° |
| C10 | C3 | C2 | N7 | 0.1° | 0.1° |
| C10 | C3 | C4 | H4 | 0.2° | 0.2° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.2° |
| C4 | C3 | C2 | C1 | 0.6° | 0.6° |
| C4 | C3 | C2 | N7 | 179.8° | 179.8° |
| C4 | C3 | C10 | H10 | 0.5° | 0.5° |
| C3 | C4 | C5 | H5 | 179.8° | 179.8° |
| C2 | C3 | C4 | C5 | 0.3° | 0.3° |
| C3 | C2 | C1 | C6 | 0.4° | 0.4° |
| C3 | C2 | C1 | N7 | 179.6° | 179.6° |
| C3 | C2 | N7 | C8 | 1.0° | 1.0° |
| C2 | C3 | C10 | H10 | 179.4° | 179.4° |
| C2 | C3 | C4 | H4 | 179.7° | 179.7° |
| C3 | C2 | C1 | H1 | 179.6° | 179.6° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.3° | 0.3° |
| C4 | C5 | C6 | H6 | 179.7° | 179.7° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.0° | 0.0° |
| C6 | C5 | C4 | H4 | 179.8° | 179.8° |
| C5 | C6 | C1 | H1 | 180.0° | 180.0° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C6 | C1 | C2 | N7 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.7° | 179.7° |
| C1 | C2 | N7 | C8 | 178.6° | 178.6° |
| C2 | C1 | C6 | H6 | 180.0° | 180.0° |
| C2 | N7 | C8 | H8 | 178.9° | 178.9° |
| N7 | C2 | C1 | H1 | 0.0° | 0.0° |
| H161 | C16 | C17 | H171 | 57.0° | 57.0° |
| H161 | C16 | C17 | H172 | 64.3° | 64.3° |
| H162 | C16 | C17 | H171 | 175.2° | 175.2° |
| H162 | C16 | C17 | H172 | 53.9° | 53.9° |
| H141 | C14 | C13 | H131 | 177.1° | 177.1° |
| H141 | C14 | C13 | H132 | 56.8° | 56.8° |
| H142 | C14 | C13 | H131 | 57.8° | 57.8° |
| H142 | C14 | C13 | H132 | 62.5° | 62.5° |
| H171 | C17 | C12 | H12 | 178.5° | 178.4° |
| H172 | C17 | C12 | H12 | 57.2° | 57.2° |
| H12 | C12 | C13 | H131 | 177.9° | 177.9° |
| H12 | C12 | C13 | H132 | 57.5° | 57.6° |
| H12 | C12 | C11 | H111 | 88.7° | 88.7° |
| H12 | C12 | C11 | H112 | 150.8° | 150.8° |
| H4 | C4 | C5 | H5 | 0.2° | 0.2° |
| H5 | C5 | C6 | H6 | 0.3° | 0.3° |
| H6 | C6 | C1 | H1 | 0.1° | 0.1° |
