4SF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O6 | C5 | doub | 1.21Å | 1.28Å | |
| C5 | O7 | sing | 1.35Å | 1.27Å | |
| C5 | C3 | sing | 1.47Å | 1.38Å | |
| C4 | C3 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | doub | 1.33Å | 1.52Å | |
| CN | N | sing | 1.47Å | 1.49Å | |
| N | C1 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.51Å | 1.54Å | |
| C1 | C11 | sing | 1.53Å | 1.57Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | C13 | sing | 1.53Å | 1.55Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| O7 | H7 | sing | 0.97Å | 0.95Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C4 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| CN | H19 | sing | 1.09Å | 1.10Å | |
| CN | H20 | sing | 1.09Å | 1.10Å | |
| CN | H21 | sing | 1.09Å | 1.10Å | |
| N | H1 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O6 | C5 | O7 | 128.4° | 120.0° |
| O6 | C5 | C3 | 113.0° | 120.0° |
| O7 | C5 | C3 | 118.7° | 119.9° |
| C5 | O7 | H7 | 109.5° | 116.9° |
| C5 | C3 | C4 | 112.0° | 120.0° |
| C5 | C3 | C2 | 122.4° | 120.0° |
| C4 | C3 | C2 | 125.5° | 120.0° |
| C3 | C4 | H8 | 109.5° | 109.5° |
| C3 | C4 | H9 | 109.5° | 109.4° |
| C3 | C4 | H10 | 109.4° | 109.4° |
| C3 | C2 | C1 | 127.3° | 120.0° |
| C3 | C2 | H11 | 116.4° | 120.0° |
| CN | N | C1 | 118.4° | 111.0° |
| N | CN | H19 | 109.5° | 109.5° |
| N | CN | H20 | 109.5° | 109.5° |
| N | CN | H21 | 109.5° | 109.5° |
| CN | N | H1 | 107.2° | 111.0° |
| N | C1 | C2 | 111.6° | 109.5° |
| N | C1 | C11 | 108.2° | 109.4° |
| N | C1 | H2 | 108.7° | 109.5° |
| C1 | N | H1 | 107.2° | 111.0° |
| C2 | C1 | C11 | 112.8° | 109.5° |
| C2 | C1 | H2 | 107.8° | 109.5° |
| C1 | C2 | H11 | 116.4° | 120.0° |
| C1 | C11 | C12 | 113.9° | 109.5° |
| C1 | C11 | C13 | 114.0° | 109.5° |
| C11 | C1 | H2 | 107.5° | 109.4° |
| C1 | C11 | H12 | 105.6° | 109.5° |
| C12 | C11 | C13 | 110.6° | 109.5° |
| C12 | C11 | H12 | 106.1° | 109.5° |
| C11 | C12 | H13 | 109.5° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C13 | C11 | H12 | 105.9° | 109.4° |
| C11 | C13 | H16 | 109.5° | 109.5° |
| C11 | C13 | H17 | 109.4° | 109.5° |
| C11 | C13 | H18 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.5° |
| H8 | C4 | H10 | 109.5° | 109.5° |
| H9 | C4 | H10 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.5° |
| H13 | C12 | H15 | 109.4° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H16 | C13 | H18 | 109.5° | 109.5° |
| H17 | C13 | H18 | 109.4° | 109.4° |
| H19 | CN | H20 | 109.5° | 109.5° |
| H19 | CN | H21 | 109.4° | 109.5° |
| H20 | CN | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O6 | C5 | O7 | C3 | 179.8° | 179.9° |
| O6 | C5 | C3 | C4 | 0.7° | 79.4° |
| O6 | C5 | C3 | C2 | 178.1° | 100.5° |
| O6 | C5 | O7 | H7 | 0.0° | 0.0° |
| O7 | C5 | C3 | C4 | 179.1° | 100.5° |
| O7 | C5 | C3 | C2 | 2.1° | 79.5° |
| C5 | C3 | C4 | C2 | 178.8° | 179.9° |
| C5 | C3 | C2 | C1 | 1.5° | 4.7° |
| C3 | C5 | O7 | H7 | 179.9° | 180.0° |
| C5 | C3 | C4 | H8 | 180.0° | 89.9° |
| C5 | C3 | C4 | H9 | 60.0° | 150.0° |
| C5 | C3 | C4 | H10 | 60.0° | 30.0° |
| C5 | C3 | C2 | H11 | 178.5° | 175.3° |
| C4 | C3 | C2 | C1 | 179.9° | 175.4° |
| C3 | C4 | H8 | H9 | 120.0° | 120.0° |
| C3 | C4 | H8 | H10 | 120.0° | 120.0° |
| C3 | C4 | H9 | H10 | 120.0° | 119.9° |
| C4 | C3 | C2 | H11 | 0.1° | 4.7° |
| C3 | C2 | C1 | N | 89.9° | 119.4° |
| C3 | C2 | C1 | H11 | 180.0° | 180.0° |
| C3 | C2 | C1 | C11 | 147.9° | 120.6° |
| C3 | C2 | C1 | H2 | 29.4° | 0.7° |
| C2 | C3 | C4 | H8 | 1.2° | 90.0° |
| C2 | C3 | C4 | H9 | 118.8° | 30.1° |
| C2 | C3 | C4 | H10 | 121.3° | 150.0° |
| CN | N | C1 | H1 | 121.2° | 124.0° |
| CN | N | C1 | C2 | 25.9° | 153.0° |
| CN | N | C1 | C11 | 98.8° | 87.0° |
| CN | N | C1 | H2 | 144.8° | 32.9° |
| N | CN | H19 | H20 | 120.0° | 120.0° |
| N | CN | H19 | H21 | 120.0° | 120.0° |
| N | CN | H20 | H21 | 120.0° | 120.0° |
| N | C1 | C2 | C11 | 122.2° | 120.0° |
| N | C1 | C2 | H2 | 119.3° | 120.1° |
| N | C1 | C11 | H2 | 117.2° | 120.0° |
| N | C1 | C11 | C12 | 19.7° | 65.2° |
| N | C1 | C11 | C13 | 147.9° | 174.8° |
| N | C1 | C2 | H11 | 90.1° | 60.6° |
| N | C1 | C11 | H12 | 96.3° | 54.8° |
| C1 | N | CN | H19 | 180.0° | 55.1° |
| C1 | N | CN | H20 | 60.0° | 64.9° |
| C1 | N | CN | H21 | 60.0° | 175.1° |
| C2 | C1 | C11 | H2 | 118.7° | 120.0° |
| C2 | C1 | C11 | C12 | 104.4° | 54.7° |
| C2 | C1 | C11 | C13 | 23.9° | 65.3° |
| C2 | C1 | C11 | H12 | 139.6° | 174.8° |
| C2 | C1 | N | H1 | 95.3° | 83.0° |
| C1 | C11 | C12 | C13 | 129.9° | 120.0° |
| C1 | C11 | C12 | H12 | 115.7° | 120.1° |
| C1 | C11 | C13 | H12 | 115.6° | 120.0° |
| C11 | C1 | C2 | H11 | 32.1° | 59.3° |
| C1 | C11 | C12 | H13 | 180.0° | 60.0° |
| C1 | C11 | C12 | H14 | 60.0° | 180.0° |
| C1 | C11 | C12 | H15 | 60.0° | 60.0° |
| C1 | C11 | C13 | H16 | 180.0° | 64.2° |
| C1 | C11 | C13 | H17 | 60.0° | 175.7° |
| C1 | C11 | C13 | H18 | 60.0° | 55.8° |
| C11 | C1 | N | H1 | 139.9° | 37.0° |
| C12 | C11 | C13 | H12 | 114.5° | 120.0° |
| C12 | C11 | C1 | H2 | 136.9° | 174.8° |
| C11 | C12 | H13 | H14 | 120.0° | 120.0° |
| C11 | C12 | H13 | H15 | 120.0° | 120.0° |
| C11 | C12 | H14 | H15 | 120.0° | 120.0° |
| C12 | C11 | C13 | H16 | 50.2° | 175.8° |
| C12 | C11 | C13 | H17 | 69.9° | 55.7° |
| C12 | C11 | C13 | H18 | 170.2° | 64.2° |
| C13 | C11 | C1 | H2 | 94.9° | 54.8° |
| C13 | C11 | C12 | H13 | 50.1° | 60.0° |
| C13 | C11 | C12 | H14 | 170.1° | 60.0° |
| C13 | C11 | C12 | H15 | 69.9° | 180.0° |
| C11 | C13 | H16 | H17 | 120.0° | 120.1° |
| C11 | C13 | H16 | H18 | 120.0° | 120.0° |
| C11 | C13 | H17 | H18 | 120.0° | 120.0° |
| H2 | C1 | C2 | H11 | 150.6° | 179.3° |
| H2 | C1 | C11 | H12 | 20.9° | 65.2° |
| H2 | C1 | N | H1 | 23.5° | 156.9° |
| H8 | C4 | H9 | H10 | 120.0° | 120.0° |
| H12 | C11 | C12 | H13 | 64.3° | 179.9° |
| H12 | C11 | C12 | H14 | 55.7° | 59.9° |
| H12 | C11 | C12 | H15 | 175.7° | 60.1° |
| H12 | C11 | C13 | H16 | 64.4° | 55.8° |
| H12 | C11 | C13 | H17 | 175.6° | 64.2° |
| H12 | C11 | C13 | H18 | 55.6° | 175.8° |
| H13 | C12 | H14 | H15 | 120.0° | 120.0° |
| H16 | C13 | H17 | H18 | 120.0° | 119.9° |
| H19 | CN | H20 | H21 | 120.0° | 120.0° |
| H19 | CN | N | H1 | 58.8° | 68.8° |
| H20 | CN | N | H1 | 61.2° | 171.2° |
| H21 | CN | N | H1 | 178.7° | 51.2° |
