P4N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | S7 | sing | 1.81Å | 1.81Å | |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| S7 | C3 | sing | 1.76Å | 1.75Å | |
| S7 | O8 | doub | 1.42Å | 1.44Å | |
| S7 | O9 | doub | 1.42Å | 1.42Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C11 | sing | 1.51Å | 1.52Å | |
| C11 | N12 | sing | 1.47Å | 1.48Å | |
| N12 | C13 | sing | 1.39Å | 1.38Å | |
| F21 | C19 | sing | 1.40Å | 1.39Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| N33 | C28 | sing | 1.40Å | 1.41Å | |
| N33 | C32 | sing | 1.35Å | 1.34Å | |
| C27 | C24 | sing | 1.39Å | 1.40Å | Aromatic |
| O34 | C32 | doub | 1.21Å | 1.23Å | |
| C13 | N14 | doub | 1.33Å | 1.33Å | Aromatic |
| C13 | C18 | sing | 1.40Å | 1.40Å | Aromatic |
| F20 | C19 | sing | 1.40Å | 1.39Å | |
| C19 | C18 | sing | 1.51Å | 1.50Å | |
| C19 | F22 | sing | 1.40Å | 1.38Å | |
| C28 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| N14 | C15 | sing | 1.33Å | 1.32Å | Aromatic |
| C32 | C31 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | N23 | sing | 1.40Å | 1.41Å | |
| C24 | C25 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | N23 | sing | 1.38Å | 1.38Å | |
| C15 | N16 | doub | 1.32Å | 1.33Å | Aromatic |
| C29 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | sing | 1.51Å | 1.51Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| C17 | N16 | sing | 1.32Å | 1.33Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| N23 | H8 | sing | 0.97Å | 1.00Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C30 | H10 | sing | 1.09Å | 1.10Å | |
| C30 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C31 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.08Å | 1.08Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| N12 | H16 | sing | 0.97Å | 1.00Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C25 | H18 | sing | 1.08Å | 1.08Å | |
| C26 | H19 | sing | 1.08Å | 1.08Å | |
| N33 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | S7 | C3 | 104.3° | 104.4° |
| C10 | S7 | O8 | 109.7° | 110.5° |
| C10 | S7 | O9 | 109.6° | 110.5° |
| S7 | C10 | H3 | 109.5° | 109.5° |
| S7 | C10 | H4 | 109.5° | 109.5° |
| S7 | C10 | H5 | 109.5° | 109.5° |
| C1 | C2 | C3 | 119.9° | 120.0° |
| C2 | C1 | C6 | 119.0° | 120.0° |
| C2 | C1 | H1 | 120.5° | 120.0° |
| C1 | C2 | H2 | 120.0° | 119.9° |
| C2 | C3 | S7 | 120.1° | 120.0° |
| C2 | C3 | C4 | 121.4° | 120.0° |
| C3 | C2 | H2 | 120.1° | 120.1° |
| C1 | C6 | C5 | 120.6° | 120.0° |
| C6 | C1 | H1 | 120.5° | 120.0° |
| C1 | C6 | H15 | 119.7° | 120.0° |
| C3 | S7 | O8 | 107.2° | 104.3° |
| C3 | S7 | O9 | 105.0° | 104.3° |
| S7 | C3 | C4 | 118.5° | 120.0° |
| O8 | S7 | O9 | 119.8° | 121.0° |
| C3 | C4 | C5 | 118.4° | 120.0° |
| C3 | C4 | H14 | 120.8° | 120.0° |
| C6 | C5 | C4 | 120.6° | 120.0° |
| C6 | C5 | C11 | 118.9° | 120.0° |
| C5 | C6 | H15 | 119.7° | 120.1° |
| C4 | C5 | C11 | 120.5° | 120.0° |
| C5 | C4 | H14 | 120.8° | 120.0° |
| C5 | C11 | N12 | 109.7° | 109.5° |
| C5 | C11 | H6 | 109.4° | 109.5° |
| C5 | C11 | H7 | 109.4° | 109.5° |
| C11 | N12 | C13 | 119.7° | 120.0° |
| N12 | C11 | H6 | 109.4° | 109.4° |
| N12 | C11 | H7 | 109.4° | 109.5° |
| C11 | N12 | H16 | 106.8° | 120.0° |
| N12 | C13 | N14 | 118.8° | 120.5° |
| N12 | C13 | C18 | 122.0° | 120.5° |
| C13 | N12 | H16 | 106.9° | 120.0° |
| F21 | C19 | F20 | 108.3° | 109.4° |
| F21 | C19 | C18 | 109.1° | 109.5° |
| F21 | C19 | F22 | 105.4° | 109.5° |
| C27 | C26 | C28 | 118.8° | 120.0° |
| C26 | C27 | C24 | 120.1° | 120.0° |
| C26 | C27 | H9 | 120.0° | 120.0° |
| C27 | C26 | H19 | 120.6° | 120.0° |
| C26 | C28 | N33 | 118.3° | 120.1° |
| C26 | C28 | C29 | 121.6° | 120.0° |
| C28 | C26 | H19 | 120.6° | 120.0° |
| C28 | N33 | C32 | 119.4° | 120.4° |
| N33 | C28 | C29 | 120.0° | 119.9° |
| C28 | N33 | H20 | 120.3° | 119.8° |
| N33 | C32 | O34 | 117.4° | 119.7° |
| N33 | C32 | C31 | 121.0° | 120.7° |
| C32 | N33 | H20 | 120.3° | 119.8° |
| C27 | C24 | N23 | 123.0° | 120.0° |
| C27 | C24 | C25 | 120.5° | 120.0° |
| C24 | C27 | H9 | 120.0° | 120.0° |
| O34 | C32 | C31 | 121.5° | 119.7° |
| N14 | C13 | C18 | 119.1° | 119.1° |
| C13 | N14 | C15 | 119.6° | 120.6° |
| C13 | C18 | C19 | 120.7° | 120.8° |
| C13 | C18 | C17 | 119.2° | 118.5° |
| F20 | C19 | C18 | 113.8° | 109.4° |
| F20 | C19 | F22 | 110.3° | 109.4° |
| C18 | C19 | F22 | 109.6° | 109.5° |
| C19 | C18 | C17 | 120.0° | 120.7° |
| C28 | C29 | C25 | 119.7° | 120.0° |
| C28 | C29 | C30 | 120.8° | 119.8° |
| N14 | C15 | N23 | 119.3° | 119.2° |
| N14 | C15 | N16 | 123.0° | 121.6° |
| C32 | C31 | C30 | 111.1° | 109.8° |
| C32 | C31 | H12 | 109.0° | 109.3° |
| C32 | C31 | H13 | 109.1° | 109.5° |
| C18 | C17 | N16 | 117.9° | 119.3° |
| C18 | C17 | H17 | 121.1° | 120.4° |
| N23 | C24 | C25 | 116.0° | 120.0° |
| C24 | N23 | C15 | 125.1° | 120.1° |
| C24 | N23 | H8 | 117.5° | 119.9° |
| C24 | C25 | C29 | 119.1° | 120.0° |
| C24 | C25 | H18 | 120.4° | 120.0° |
| N23 | C15 | N16 | 117.6° | 119.2° |
| C15 | N23 | H8 | 117.5° | 120.0° |
| C15 | N16 | C17 | 121.0° | 120.9° |
| C25 | C29 | C30 | 119.4° | 120.1° |
| C29 | C25 | H18 | 120.4° | 120.0° |
| C29 | C30 | C31 | 108.4° | 109.6° |
| C29 | C30 | H10 | 109.8° | 109.5° |
| C29 | C30 | H11 | 109.7° | 109.4° |
| C31 | C30 | H10 | 109.7° | 109.5° |
| C31 | C30 | H11 | 109.8° | 109.5° |
| C30 | C31 | H12 | 109.1° | 109.4° |
| C30 | C31 | H13 | 109.1° | 109.4° |
| N16 | C17 | H17 | 121.0° | 120.3° |
| H3 | C10 | H4 | 109.4° | 109.4° |
| H3 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H5 | 109.5° | 109.4° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H10 | C30 | H11 | 109.5° | 109.4° |
| H12 | C31 | H13 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | S7 | C3 | C2 | 62.3° | 90.0° |
| C10 | S7 | C3 | O8 | 116.3° | 116.1° |
| C10 | S7 | C3 | O9 | 115.3° | 116.1° |
| C10 | S7 | O8 | O9 | 128.0° | 131.5° |
| C10 | S7 | C3 | C4 | 115.5° | 90.0° |
| S7 | C10 | H3 | H4 | 120.0° | 120.0° |
| S7 | C10 | H3 | H5 | 120.0° | 120.0° |
| S7 | C10 | H4 | H5 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | S7 | 179.5° | 180.0° |
| C1 | C2 | C3 | C4 | 2.8° | 0.0° |
| C2 | C1 | C6 | C5 | 2.3° | 0.2° |
| C2 | C1 | C6 | H15 | 177.7° | 179.7° |
| C3 | C2 | C1 | C6 | 2.5° | 0.0° |
| C2 | C3 | S7 | C4 | 177.8° | 180.0° |
| C2 | C3 | S7 | O8 | 54.0° | 153.9° |
| C2 | C3 | S7 | O9 | 177.6° | 26.1° |
| C2 | C3 | C4 | C5 | 2.7° | 0.1° |
| C3 | C2 | C1 | H1 | 177.5° | 179.7° |
| C2 | C3 | C4 | H14 | 177.3° | 179.9° |
| C1 | C6 | C5 | H15 | 180.0° | 179.5° |
| C1 | C6 | C5 | C4 | 2.3° | 0.2° |
| C1 | C6 | C5 | C11 | 179.2° | 180.0° |
| C6 | C1 | C2 | H2 | 177.5° | 179.9° |
| C3 | S7 | O8 | O9 | 119.3° | 116.8° |
| S7 | C3 | C4 | C5 | 179.6° | 180.0° |
| S7 | C3 | C2 | H2 | 0.5° | 0.0° |
| C3 | S7 | C10 | H3 | 180.0° | 60.0° |
| C3 | S7 | C10 | H4 | 60.0° | 180.0° |
| C3 | S7 | C10 | H5 | 60.0° | 60.0° |
| S7 | C3 | C4 | H14 | 0.4° | 0.0° |
| O8 | S7 | C3 | C4 | 128.2° | 26.1° |
| O8 | S7 | C10 | H3 | 65.5° | 51.6° |
| O8 | S7 | C10 | H4 | 174.5° | 68.4° |
| O8 | S7 | C10 | H5 | 54.5° | 171.7° |
| O9 | S7 | C3 | C4 | 0.2° | 153.9° |
| O9 | S7 | C10 | H3 | 68.0° | 171.7° |
| O9 | S7 | C10 | H4 | 52.0° | 68.4° |
| O9 | S7 | C10 | H5 | 172.0° | 51.6° |
| C3 | C4 | C5 | C6 | 2.4° | 0.2° |
| C3 | C4 | C5 | H14 | 180.0° | 180.0° |
| C3 | C4 | C5 | C11 | 179.3° | 180.0° |
| C4 | C3 | C2 | H2 | 177.2° | 180.0° |
| C6 | C5 | C4 | C11 | 176.9° | 179.8° |
| C6 | C5 | C11 | N12 | 160.6° | 90.1° |
| C5 | C6 | C1 | H1 | 177.7° | 179.6° |
| C6 | C5 | C11 | H6 | 40.6° | 29.8° |
| C6 | C5 | C11 | H7 | 79.3° | 149.9° |
| C6 | C5 | C4 | H14 | 177.6° | 179.8° |
| C4 | C5 | C11 | N12 | 22.5° | 90.0° |
| C4 | C5 | C11 | H6 | 142.5° | 150.0° |
| C4 | C5 | C11 | H7 | 97.6° | 30.0° |
| C4 | C5 | C6 | H15 | 177.8° | 179.8° |
| C5 | C11 | N12 | H6 | 120.0° | 120.0° |
| C5 | C11 | N12 | H7 | 120.0° | 120.0° |
| C5 | C11 | N12 | C13 | 80.8° | 180.0° |
| C5 | C11 | H6 | H7 | 119.9° | 120.1° |
| C11 | C5 | C4 | H14 | 0.7° | 0.0° |
| C11 | C5 | C6 | H15 | 0.8° | 0.4° |
| C5 | C11 | N12 | H16 | 157.8° | 0.0° |
| C11 | N12 | C13 | H16 | 121.4° | 180.0° |
| C11 | N12 | C13 | N14 | 9.7° | 0.0° |
| C11 | N12 | C13 | C18 | 168.2° | 179.7° |
| N12 | C11 | H6 | H7 | 119.9° | 120.0° |
| N12 | C13 | N14 | C18 | 177.9° | 179.7° |
| N12 | C13 | C18 | C19 | 3.1° | 0.3° |
| N12 | C13 | N14 | C15 | 178.0° | 179.7° |
| N12 | C13 | C18 | C17 | 178.1° | 179.7° |
| C13 | N12 | C11 | H6 | 39.3° | 60.0° |
| C13 | N12 | C11 | H7 | 159.2° | 60.0° |
| F21 | C19 | C18 | C13 | 64.7° | 59.9° |
| F21 | C19 | F20 | C18 | 121.5° | 120.0° |
| F21 | C19 | F20 | F22 | 114.9° | 120.0° |
| F21 | C19 | C18 | F22 | 115.0° | 120.1° |
| F21 | C19 | C18 | C17 | 114.2° | 120.1° |
| C27 | C26 | C28 | H19 | 180.0° | 179.9° |
| C27 | C26 | C28 | N33 | 179.3° | 179.9° |
| C26 | C27 | C24 | H9 | 180.0° | 179.9° |
| C27 | C26 | C28 | C29 | 2.9° | 0.2° |
| C26 | C27 | C24 | N23 | 175.9° | 179.9° |
| C26 | C27 | C24 | C25 | 4.5° | 0.3° |
| C26 | C28 | N33 | C29 | 176.4° | 179.7° |
| C26 | C28 | N33 | C32 | 163.8° | 161.5° |
| C28 | C26 | C27 | C24 | 3.8° | 0.1° |
| C26 | C28 | C29 | C25 | 2.9° | 0.3° |
| C26 | C28 | C29 | C30 | 179.8° | 180.0° |
| C28 | C26 | C27 | H9 | 176.3° | 180.0° |
| C26 | C28 | N33 | H20 | 16.2° | 18.5° |
| C28 | N33 | C32 | H20 | 180.0° | 180.0° |
| C28 | N33 | C32 | O34 | 179.4° | 179.4° |
| C28 | N33 | C32 | C31 | 2.3° | 0.8° |
| N33 | C28 | C29 | C25 | 179.2° | 180.0° |
| N33 | C28 | C29 | C30 | 3.9° | 0.3° |
| N33 | C28 | C26 | H19 | 0.7° | 0.0° |
| N33 | C32 | O34 | C31 | 177.1° | 179.8° |
| C32 | N33 | C28 | C29 | 19.8° | 18.8° |
| N33 | C32 | C31 | C30 | 37.4° | 35.4° |
| N33 | C32 | C31 | H12 | 82.8° | 155.4° |
| N33 | C32 | C31 | H13 | 157.6° | 84.7° |
| C27 | C24 | N23 | C25 | 171.7° | 179.8° |
| C27 | C24 | N23 | C15 | 46.7° | 39.2° |
| C27 | C24 | C25 | C29 | 4.4° | 0.3° |
| C27 | C24 | N23 | H8 | 133.3° | 140.8° |
| C27 | C24 | C25 | H18 | 175.6° | 179.7° |
| C24 | C27 | C26 | H19 | 176.2° | 180.0° |
| O34 | C32 | C31 | C30 | 145.6° | 144.8° |
| O34 | C32 | C31 | H12 | 94.2° | 24.8° |
| O34 | C32 | C31 | H13 | 25.4° | 95.1° |
| O34 | C32 | N33 | H20 | 0.6° | 0.6° |
| N14 | C13 | C18 | C19 | 174.8° | 180.0° |
| N14 | C13 | C18 | C17 | 4.0° | 0.0° |
| C13 | N14 | C15 | N23 | 178.3° | 180.0° |
| C13 | N14 | C15 | N16 | 1.5° | 0.0° |
| N14 | C13 | N12 | H16 | 111.7° | 180.0° |
| C13 | C18 | C19 | F20 | 56.4° | 60.0° |
| C13 | C18 | C19 | C17 | 178.8° | 180.0° |
| C13 | C18 | C19 | F22 | 179.7° | 180.0° |
| C18 | C13 | N14 | C15 | 4.1° | 0.0° |
| C13 | C18 | C17 | N16 | 1.4° | 0.0° |
| C18 | C13 | N12 | H16 | 70.4° | 0.3° |
| C13 | C18 | C17 | H17 | 178.5° | 180.0° |
| F20 | C19 | C18 | F22 | 124.0° | 120.0° |
| F20 | C19 | C18 | C17 | 124.8° | 120.0° |
| C19 | C18 | C17 | N16 | 177.4° | 180.0° |
| C19 | C18 | C17 | H17 | 2.6° | 0.0° |
| F22 | C19 | C18 | C17 | 0.8° | 0.0° |
| C28 | C29 | C25 | C24 | 3.5° | 0.0° |
| C28 | C29 | C25 | C30 | 177.0° | 179.8° |
| C28 | C29 | C30 | C31 | 30.0° | 34.0° |
| C28 | C29 | C30 | H10 | 89.8° | 154.1° |
| C28 | C29 | C30 | H11 | 149.9° | 86.0° |
| C28 | C29 | C25 | H18 | 176.5° | 180.0° |
| C29 | C28 | C26 | H19 | 177.0° | 179.7° |
| C29 | C28 | N33 | H20 | 160.2° | 161.2° |
| N14 | C15 | N23 | C24 | 11.0° | 174.4° |
| N14 | C15 | N23 | N16 | 176.9° | 180.0° |
| N14 | C15 | N16 | C17 | 1.2° | 0.0° |
| N14 | C15 | N23 | H8 | 169.0° | 5.6° |
| C32 | C31 | C30 | C29 | 47.7° | 48.9° |
| C32 | C31 | C30 | H12 | 120.2° | 119.9° |
| C32 | C31 | C30 | H13 | 120.2° | 120.2° |
| C32 | C31 | C30 | H10 | 72.1° | 168.9° |
| C32 | C31 | C30 | H11 | 167.5° | 71.1° |
| C32 | C31 | H12 | H13 | 119.3° | 119.9° |
| C31 | C32 | N33 | H20 | 177.7° | 179.2° |
| C18 | C17 | N16 | C15 | 1.1° | 0.0° |
| C18 | C17 | N16 | H17 | 180.0° | 179.9° |
| C24 | N23 | C15 | H8 | 180.0° | 180.0° |
| C24 | N23 | C15 | N16 | 172.1° | 5.6° |
| N23 | C24 | C25 | C29 | 176.3° | 180.0° |
| N23 | C24 | C27 | H9 | 4.1° | 0.0° |
| N23 | C24 | C25 | H18 | 3.7° | 0.1° |
| C25 | C24 | N23 | C15 | 141.5° | 141.1° |
| C24 | C25 | C29 | H18 | 180.0° | 180.0° |
| C24 | C25 | C29 | C30 | 179.5° | 179.8° |
| C25 | C24 | N23 | H8 | 38.5° | 38.9° |
| C25 | C24 | C27 | H9 | 175.5° | 179.8° |
| N23 | C15 | N16 | C17 | 175.6° | 180.0° |
| N16 | C15 | N23 | H8 | 7.9° | 174.5° |
| C15 | N16 | C17 | H17 | 178.9° | 180.0° |
| C25 | C29 | C30 | C31 | 146.9° | 145.8° |
| C25 | C29 | C30 | H10 | 93.3° | 25.7° |
| C25 | C29 | C30 | H11 | 27.1° | 94.2° |
| C29 | C30 | C31 | H10 | 119.8° | 120.0° |
| C29 | C30 | C31 | H11 | 119.8° | 120.0° |
| C29 | C30 | H10 | H11 | 120.5° | 119.9° |
| C29 | C30 | C31 | H12 | 72.5° | 168.8° |
| C29 | C30 | C31 | H13 | 167.9° | 71.3° |
| C30 | C29 | C25 | H18 | 0.5° | 0.3° |
| C31 | C30 | H10 | H11 | 120.5° | 120.0° |
| C30 | C31 | H12 | H13 | 119.3° | 119.9° |
| H1 | C1 | C2 | H2 | 2.5° | 0.3° |
| H1 | C1 | C6 | H15 | 2.3° | 0.0° |
| H3 | C10 | H4 | H5 | 120.0° | 120.0° |
| H6 | C11 | N12 | H16 | 82.2° | 120.0° |
| H7 | C11 | N12 | H16 | 37.7° | 120.1° |
| H9 | C27 | C26 | H19 | 3.8° | 0.1° |
| H10 | C30 | C31 | H12 | 167.7° | 71.2° |
| H10 | C30 | C31 | H13 | 48.1° | 48.7° |
| H11 | C30 | C31 | H12 | 47.3° | 48.8° |
| H11 | C30 | C31 | H13 | 72.2° | 168.7° |
