P3F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | P1 | sing | 1.48Å | 1.52Å | |
| O4 | HO4 | sing | 7.01Å | 0.95Å | |
| P1 | O2 | sing | 1.61Å | 1.51Å | |
| P1 | O3 | doub | 1.61Å | 1.52Å | |
| P1 | O1 | sing | 1.61Å | 1.62Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O1 | C5 | sing | 1.43Å | 1.44Å | |
| C5 | C4 | sing | 1.51Å | 1.52Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N1 | C2 | sing | 1.32Å | 1.35Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.52Å | |
| C2 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12A | sing | 1.09Å | 1.10Å | |
| C1 | H13A | sing | 1.09Å | 1.10Å | |
| C17 | O9 | sing | 1.36Å | 1.36Å | |
| C17 | C6 | sing | 1.41Å | 1.42Å | Aromatic |
| O9 | HO9 | sing | 0.97Å | 0.95Å | |
| C6 | C7 | sing | 1.47Å | 1.52Å | |
| C7 | N2 | doub | 1.30Å | 1.29Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N2 | N3 | sing | 1.40Å | 1.44Å | |
| N3 | C8 | sing | 1.35Å | 1.41Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C8 | O5 | doub | 1.21Å | 1.23Å | |
| C8 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | N4 | sing | 1.46Å | 1.45Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| N4 | C10 | sing | 1.35Å | 1.35Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C10 | O6 | doub | 1.22Å | 1.24Å | |
| C10 | C11 | sing | 1.48Å | 1.50Å | |
| C11 | C16 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C18 | sing | 1.51Å | 1.50Å | |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | F2 | sing | 1.40Å | 1.33Å | |
| C18 | F1 | sing | 1.40Å | 1.33Å | |
| C18 | F3 | sing | 1.40Å | 1.32Å | |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P1 | O4 | HO4 | 109.5° | 97.5° |
| O4 | P1 | O2 | 114.3° | 109.5° |
| O4 | P1 | O3 | 115.9° | 109.4° |
| O4 | P1 | O1 | 101.7° | 109.5° |
| O2 | P1 | O3 | 115.7° | 109.5° |
| O2 | P1 | O1 | 104.4° | 109.5° |
| P1 | O2 | HO2 | 109.5° | 106.8° |
| O3 | P1 | O1 | 102.0° | 109.4° |
| P1 | O1 | C5 | 119.3° | 106.8° |
| O1 | C5 | C4 | 110.3° | 109.5° |
| O1 | C5 | H51 | 109.0° | 109.5° |
| O1 | C5 | H52 | 109.2° | 109.4° |
| C4 | C5 | H51 | 109.0° | 109.5° |
| C4 | C5 | H52 | 109.2° | 109.5° |
| C5 | C4 | C3 | 116.6° | 120.5° |
| C5 | C4 | C6 | 123.3° | 120.5° |
| H51 | C5 | H52 | 110.1° | 109.5° |
| C3 | C4 | C6 | 120.1° | 119.1° |
| C4 | C3 | N1 | 121.9° | 121.0° |
| C4 | C3 | H3 | 119.0° | 119.5° |
| C4 | C6 | C17 | 115.8° | 118.1° |
| C4 | C6 | C7 | 126.1° | 121.0° |
| N1 | C3 | H3 | 119.0° | 119.5° |
| C3 | N1 | C2 | 121.3° | 122.2° |
| N1 | C2 | C1 | 120.1° | 119.6° |
| N1 | C2 | C17 | 118.3° | 120.8° |
| C1 | C2 | C17 | 121.6° | 119.6° |
| C2 | C1 | H11 | 109.4° | 109.5° |
| C2 | C1 | H12A | 109.5° | 109.5° |
| C2 | C1 | H13A | 109.5° | 109.5° |
| C2 | C17 | O9 | 117.7° | 120.5° |
| C2 | C17 | C6 | 122.3° | 118.8° |
| H11 | C1 | H12A | 109.5° | 109.5° |
| H11 | C1 | H13A | 109.5° | 109.5° |
| H12A | C1 | H13A | 109.4° | 109.4° |
| O9 | C17 | C6 | 119.9° | 120.6° |
| C17 | O9 | HO9 | 109.5° | 106.8° |
| C17 | C6 | C7 | 117.3° | 120.9° |
| C6 | C7 | N2 | 150.9° | 120.0° |
| C6 | C7 | H7 | 104.6° | 120.0° |
| N2 | C7 | H7 | 104.6° | 120.0° |
| C7 | N2 | N3 | 105.1° | 120.0° |
| N2 | N3 | C8 | 134.8° | 120.0° |
| N2 | N3 | HN3 | 112.6° | 120.0° |
| C8 | N3 | HN3 | 112.6° | 120.0° |
| N3 | C8 | O5 | 135.2° | 120.0° |
| N3 | C8 | C9 | 117.9° | 120.0° |
| O5 | C8 | C9 | 106.9° | 120.0° |
| C8 | C9 | N4 | 118.6° | 109.5° |
| C8 | C9 | H91 | 104.5° | 109.4° |
| C8 | C9 | H92 | 106.5° | 109.5° |
| N4 | C9 | H91 | 104.4° | 109.4° |
| N4 | C9 | H92 | 106.5° | 109.5° |
| C9 | N4 | C10 | 125.4° | 120.0° |
| C9 | N4 | HN4 | 117.3° | 120.0° |
| H91 | C9 | H92 | 116.9° | 109.5° |
| C10 | N4 | HN4 | 117.3° | 120.0° |
| N4 | C10 | O6 | 124.4° | 120.0° |
| N4 | C10 | C11 | 116.7° | 120.0° |
| O6 | C10 | C11 | 118.9° | 119.9° |
| C10 | C11 | C16 | 120.0° | 120.2° |
| C10 | C11 | C12 | 121.0° | 120.1° |
| C16 | C11 | C12 | 119.0° | 119.7° |
| C11 | C16 | C18 | 120.7° | 120.1° |
| C11 | C16 | C15 | 121.2° | 119.9° |
| C11 | C12 | C13 | 119.5° | 119.9° |
| C11 | C12 | H12 | 120.3° | 120.1° |
| C18 | C16 | C15 | 118.1° | 120.1° |
| C16 | C18 | F2 | 106.3° | 109.5° |
| C16 | C18 | F1 | 108.8° | 109.5° |
| C16 | C18 | F3 | 111.6° | 109.5° |
| C16 | C15 | C14 | 119.4° | 120.1° |
| C16 | C15 | H15 | 120.3° | 119.9° |
| F2 | C18 | F1 | 112.2° | 109.4° |
| F2 | C18 | F3 | 109.7° | 109.5° |
| F1 | C18 | F3 | 108.3° | 109.5° |
| C13 | C12 | H12 | 120.3° | 120.0° |
| C12 | C13 | C14 | 121.2° | 120.1° |
| C12 | C13 | H13 | 119.4° | 119.9° |
| C14 | C13 | H13 | 119.4° | 120.0° |
| C13 | C14 | C15 | 119.7° | 120.3° |
| C13 | C14 | H14 | 120.2° | 119.8° |
| C15 | C14 | H14 | 120.1° | 119.8° |
| C14 | C15 | H15 | 120.3° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | P1 | O2 | O3 | 138.6° | 120.0° |
| O4 | P1 | O2 | O1 | 110.2° | 120.1° |
| O4 | P1 | O3 | O1 | 109.5° | 120.0° |
| O4 | P1 | O2 | HO2 | 139.8° | 59.9° |
| O4 | P1 | O1 | C5 | 61.6° | 55.0° |
| HO4 | O4 | P1 | O2 | 85.6° | 170.4° |
| HO4 | O4 | P1 | O3 | 52.8° | 69.6° |
| HO4 | O4 | P1 | O1 | 162.6° | 50.3° |
| O2 | P1 | O3 | O1 | 112.6° | 120.0° |
| O2 | P1 | O1 | C5 | 57.5° | 175.0° |
| O3 | P1 | O2 | HO2 | 81.7° | 60.1° |
| O3 | P1 | O1 | C5 | 178.3° | 65.0° |
| O1 | P1 | O2 | HO2 | 29.5° | 180.0° |
| P1 | O1 | C5 | C4 | 154.8° | 180.0° |
| P1 | O1 | C5 | H51 | 85.6° | 60.0° |
| P1 | O1 | C5 | H52 | 34.8° | 60.0° |
| O1 | C5 | C4 | H51 | 119.7° | 120.0° |
| O1 | C5 | C4 | H52 | 120.0° | 120.0° |
| O1 | C5 | H51 | H52 | 119.7° | 120.0° |
| O1 | C5 | C4 | C3 | 84.6° | 0.0° |
| O1 | C5 | C4 | C6 | 94.0° | 180.0° |
| C4 | C5 | H51 | H52 | 119.8° | 120.0° |
| C5 | C4 | C3 | C6 | 178.6° | 180.0° |
| C5 | C4 | C3 | N1 | 178.6° | 180.0° |
| C5 | C4 | C3 | H3 | 1.4° | 0.0° |
| C5 | C4 | C6 | C17 | 177.1° | 179.7° |
| C5 | C4 | C6 | C7 | 7.7° | 0.0° |
| H51 | C5 | C4 | C3 | 35.1° | 120.0° |
| H51 | C5 | C4 | C6 | 146.3° | 60.0° |
| H52 | C5 | C4 | C3 | 155.5° | 120.0° |
| H52 | C5 | C4 | C6 | 26.0° | 60.0° |
| C4 | C3 | N1 | H3 | 180.0° | 180.0° |
| C4 | C3 | N1 | C2 | 1.4° | 0.0° |
| C3 | C4 | C6 | C17 | 4.4° | 0.2° |
| C3 | C4 | C6 | C7 | 173.8° | 180.0° |
| C6 | C4 | C3 | N1 | 2.8° | 0.0° |
| C6 | C4 | C3 | H3 | 177.2° | 180.0° |
| C4 | C6 | C17 | C2 | 5.1° | 0.5° |
| C4 | C6 | C17 | O9 | 178.0° | 180.0° |
| C4 | C6 | C17 | C7 | 170.3° | 179.8° |
| C4 | C6 | C7 | N2 | 107.5° | 180.0° |
| C4 | C6 | C7 | H7 | 72.6° | 0.0° |
| C3 | N1 | C2 | C1 | 179.8° | 180.0° |
| C3 | N1 | C2 | C17 | 1.9° | 0.2° |
| H3 | C3 | N1 | C2 | 178.6° | 180.0° |
| N1 | C2 | C1 | C17 | 177.8° | 179.7° |
| N1 | C2 | C1 | H11 | 175.9° | 90.0° |
| N1 | C2 | C1 | H12A | 64.1° | 150.0° |
| N1 | C2 | C1 | H13A | 55.9° | 30.0° |
| N1 | C2 | C17 | O9 | 179.2° | 180.0° |
| N1 | C2 | C17 | C6 | 3.9° | 0.5° |
| C2 | C1 | H11 | H12A | 120.0° | 120.0° |
| C2 | C1 | H11 | H13A | 120.0° | 120.0° |
| C2 | C1 | H12A | H13A | 120.0° | 120.0° |
| C1 | C2 | C17 | O9 | 1.4° | 0.2° |
| C1 | C2 | C17 | C6 | 178.3° | 179.8° |
| C17 | C2 | C1 | H11 | 1.9° | 90.3° |
| C17 | C2 | C1 | H12A | 118.2° | 29.8° |
| C17 | C2 | C1 | H13A | 121.9° | 149.7° |
| C2 | C17 | O9 | C6 | 177.0° | 179.5° |
| C2 | C17 | O9 | HO9 | 28.0° | 90.5° |
| C2 | C17 | C6 | C7 | 175.4° | 179.7° |
| H11 | C1 | H12A | H13A | 120.0° | 120.0° |
| O9 | C17 | C6 | C7 | 7.7° | 0.2° |
| C6 | C17 | O9 | HO9 | 149.0° | 90.0° |
| C17 | C6 | C7 | N2 | 83.3° | 0.2° |
| C17 | C6 | C7 | H7 | 96.7° | 179.8° |
| C6 | C7 | N2 | H7 | 180.0° | 180.0° |
| C6 | C7 | N2 | N3 | 168.2° | 180.0° |
| C7 | N2 | N3 | C8 | 106.5° | 180.0° |
| C7 | N2 | N3 | HN3 | 73.5° | 0.0° |
| H7 | C7 | N2 | N3 | 11.8° | 0.0° |
| N2 | N3 | C8 | HN3 | 180.0° | 180.0° |
| N2 | N3 | C8 | O5 | 10.2° | 0.0° |
| N2 | N3 | C8 | C9 | 173.6° | 180.0° |
| N3 | C8 | O5 | C9 | 176.5° | 180.0° |
| N3 | C8 | C9 | N4 | 9.1° | 180.0° |
| N3 | C8 | C9 | H91 | 106.5° | 60.0° |
| N3 | C8 | C9 | H92 | 129.1° | 60.0° |
| HN3 | N3 | C8 | O5 | 169.8° | 179.9° |
| HN3 | N3 | C8 | C9 | 6.4° | 0.0° |
| O5 | C8 | C9 | N4 | 173.7° | 0.0° |
| O5 | C8 | C9 | H91 | 70.7° | 120.0° |
| O5 | C8 | C9 | H92 | 53.7° | 120.0° |
| C8 | C9 | N4 | H91 | 115.7° | 119.9° |
| C8 | C9 | N4 | H92 | 120.0° | 120.0° |
| C8 | C9 | H91 | H92 | 117.4° | 120.0° |
| C8 | C9 | N4 | C10 | 142.4° | 180.0° |
| C8 | C9 | N4 | HN4 | 37.5° | 0.1° |
| N4 | C9 | H91 | H92 | 117.4° | 120.0° |
| C9 | N4 | C10 | HN4 | 180.0° | 179.9° |
| C9 | N4 | C10 | O6 | 3.2° | 0.0° |
| C9 | N4 | C10 | C11 | 176.3° | 180.0° |
| H91 | C9 | N4 | C10 | 101.9° | 60.1° |
| H91 | C9 | N4 | HN4 | 78.1° | 120.0° |
| H92 | C9 | N4 | C10 | 22.5° | 60.0° |
| H92 | C9 | N4 | HN4 | 157.5° | 119.9° |
| N4 | C10 | O6 | C11 | 179.4° | 180.0° |
| N4 | C10 | C11 | C16 | 57.4° | 179.8° |
| N4 | C10 | C11 | C12 | 122.7° | 0.0° |
| HN4 | N4 | C10 | O6 | 176.8° | 179.9° |
| HN4 | N4 | C10 | C11 | 3.8° | 0.0° |
| O6 | C10 | C11 | C16 | 122.1° | 0.2° |
| O6 | C10 | C11 | C12 | 57.9° | 180.0° |
| C10 | C11 | C16 | C12 | 179.9° | 179.8° |
| C10 | C11 | C16 | C18 | 1.2° | 0.2° |
| C10 | C11 | C16 | C15 | 179.6° | 179.7° |
| C10 | C11 | C12 | C13 | 180.0° | 180.0° |
| C10 | C11 | C12 | H12 | 0.0° | 0.0° |
| C11 | C16 | C18 | C15 | 178.5° | 179.5° |
| C11 | C16 | C18 | F2 | 65.5° | 179.5° |
| C11 | C16 | C18 | F1 | 173.5° | 60.5° |
| C11 | C16 | C18 | F3 | 54.1° | 59.5° |
| C16 | C11 | C12 | C13 | 0.0° | 0.2° |
| C16 | C11 | C12 | H12 | 179.9° | 179.8° |
| C11 | C16 | C15 | C14 | 0.5° | 0.5° |
| C11 | C16 | C15 | H15 | 179.5° | 179.8° |
| C12 | C11 | C16 | C18 | 178.7° | 180.0° |
| C12 | C11 | C16 | C15 | 0.3° | 0.5° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.1° | 0.0° |
| C11 | C12 | C13 | H13 | 179.9° | 180.0° |
| C16 | C18 | F2 | F1 | 118.7° | 120.0° |
| C16 | C18 | F2 | F3 | 120.8° | 120.0° |
| C16 | C18 | F1 | F3 | 121.5° | 120.0° |
| C18 | C16 | C15 | C14 | 179.0° | 180.0° |
| C18 | C16 | C15 | H15 | 1.0° | 0.3° |
| C15 | C16 | C18 | F2 | 112.9° | 0.0° |
| C15 | C16 | C18 | F1 | 8.0° | 120.0° |
| C15 | C16 | C18 | F3 | 127.5° | 120.0° |
| C16 | C15 | C14 | C13 | 0.5° | 0.3° |
| C16 | C15 | C14 | H15 | 180.0° | 179.7° |
| C16 | C15 | C14 | H14 | 179.5° | 179.8° |
| F2 | C18 | F1 | F3 | 121.3° | 120.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C12 | C13 | C14 | H14 | 179.9° | 179.9° |
| H12 | C12 | C13 | C14 | 179.9° | 179.9° |
| H12 | C12 | C13 | H13 | 0.1° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | H15 | 179.6° | 180.0° |
| H13 | C13 | C14 | C15 | 179.9° | 179.9° |
| H13 | C13 | C14 | H14 | 0.1° | 0.0° |
| H14 | C14 | C15 | H15 | 0.5° | 0.1° |
