SF5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C16 | N14 | sing | 1.35Å | 1.34Å | Aromatic |
| C16 | N15 | doub | 1.30Å | 1.32Å | Aromatic |
| N14 | C12 | doub | 1.31Å | 1.32Å | Aromatic |
| C6 | C12 | sing | 1.51Å | 1.42Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| N15 | O13 | sing | 1.21Å | 1.33Å | Aromatic |
| C12 | O13 | sing | 1.34Å | 1.33Å | Aromatic |
| O2 | N1 | sing | 1.42Å | 1.38Å | |
| N1 | C3 | sing | 1.35Å | 1.33Å | |
| C3 | C5 | sing | 1.51Å | 1.51Å | |
| C3 | O4 | doub | 1.21Å | 1.22Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | C1 | sing | 1.51Å | 14.04Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C2 | C4 | sing | 1.38Å | 0.00Å | Aromatic |
| C4 | C11 | doub | 1.38Å | 0.00Å | Aromatic |
| C11 | C13 | sing | 1.40Å | 0.00Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 0.00Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 0.00Å | Aromatic |
| C15 | C2 | doub | 1.38Å | 0.00Å | Aromatic |
| C13 | C17 | sing | 1.48Å | 0.00Å | |
| C17 | O1 | doub | 1.22Å | 0.00Å | |
| C17 | O3 | sing | 1.35Å | 0.00Å | |
| O3 | C20 | sing | 1.45Å | 0.00Å | |
| C1 | H15 | sing | 1.09Å | 0.00Å | |
| C1 | H16 | sing | 1.09Å | 0.00Å | |
| C4 | H17 | sing | 1.08Å | 0.00Å | |
| C11 | H18 | sing | 1.08Å | 0.00Å | |
| C14 | H19 | sing | 1.08Å | 0.00Å | |
| C15 | H20 | sing | 1.08Å | 0.00Å | |
| C20 | H21 | sing | 1.09Å | 0.00Å | |
| C20 | H22 | sing | 1.09Å | 0.00Å | |
| C20 | H23 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | C8 | 111.2° | 109.5° |
| C10 | C9 | H10 | 109.0° | 109.5° |
| C10 | C9 | H11 | 109.0° | 109.5° |
| C9 | C10 | H12 | 109.5° | 109.5° |
| C9 | C10 | H13 | 109.5° | 109.4° |
| C9 | C10 | H14 | 109.4° | 109.5° |
| C9 | C8 | C7 | 109.6° | 109.5° |
| C9 | C8 | H8 | 109.4° | 109.4° |
| C9 | C8 | H9 | 109.4° | 109.5° |
| C8 | C9 | H10 | 109.0° | 109.4° |
| C8 | C9 | H11 | 109.0° | 109.5° |
| C8 | C7 | C6 | 112.4° | 109.5° |
| C8 | C7 | H6 | 108.7° | 109.5° |
| C8 | C7 | H7 | 108.7° | 109.5° |
| C7 | C8 | H8 | 109.4° | 109.5° |
| C7 | C8 | H9 | 109.4° | 109.5° |
| C7 | C6 | C12 | 108.9° | 109.5° |
| C7 | C6 | C5 | 110.4° | 109.5° |
| C7 | C6 | H5 | 106.8° | 109.5° |
| C6 | C7 | H6 | 108.7° | 109.4° |
| C6 | C7 | H7 | 108.7° | 109.5° |
| N14 | C16 | N15 | 108.8° | 107.4° |
| C16 | N14 | C12 | 106.9° | 105.7° |
| N14 | C16 | C1 | 57.1° | 126.3° |
| C16 | N15 | O13 | 107.7° | 110.3° |
| N15 | C16 | C1 | 111.3° | 126.3° |
| N14 | C12 | C6 | 135.6° | 126.6° |
| N14 | C12 | O13 | 109.2° | 106.9° |
| C12 | C6 | C5 | 115.4° | 109.5° |
| C6 | C12 | O13 | 110.7° | 126.6° |
| C12 | C6 | H5 | 108.1° | 109.4° |
| C6 | C5 | C3 | 111.2° | 109.5° |
| C6 | C5 | H3 | 109.0° | 109.5° |
| C6 | C5 | H4 | 109.0° | 109.5° |
| C5 | C6 | H5 | 106.9° | 109.4° |
| N15 | O13 | C12 | 107.5° | 109.8° |
| O2 | N1 | C3 | 121.1° | 120.0° |
| O2 | N1 | H1 | 119.4° | 120.0° |
| N1 | O2 | H2 | 109.5° | 114.0° |
| N1 | C3 | C5 | 115.8° | 120.0° |
| N1 | C3 | O4 | 123.0° | 120.0° |
| C3 | N1 | H1 | 119.5° | 120.0° |
| C5 | C3 | O4 | 121.2° | 120.0° |
| C3 | C5 | H3 | 109.1° | 109.5° |
| C3 | C5 | H4 | 109.0° | 109.5° |
| H3 | C5 | H4 | 109.5° | 109.4° |
| H6 | C7 | H7 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.5° |
| H10 | C9 | H11 | 109.5° | 109.5° |
| H12 | C10 | H13 | 109.5° | 109.5° |
| H12 | C10 | H14 | 109.5° | 109.5° |
| H13 | C10 | H14 | 109.5° | 109.5° |
| C16 | C1 | C2 | 90.0° | 109.5° |
| C16 | C1 | H15 | 90.0° | 109.5° |
| C16 | C1 | H16 | 90.0° | 109.5° |
| C1 | C2 | C4 | 90.0° | 119.8° |
| C1 | C2 | C15 | 90.0° | 119.9° |
| C2 | C1 | H15 | 90.0° | 109.5° |
| C2 | C1 | H16 | 90.0° | 109.5° |
| C2 | C4 | C11 | 90.0° | 120.1° |
| C4 | C2 | C15 | 90.0° | 120.3° |
| C2 | C4 | H17 | 90.0° | 119.9° |
| C4 | C11 | C13 | 90.0° | 119.9° |
| C11 | C4 | H17 | 90.0° | 119.9° |
| C4 | C11 | H18 | 90.0° | 120.0° |
| C11 | C13 | C14 | 90.0° | 119.7° |
| C11 | C13 | C17 | 90.0° | 120.2° |
| C13 | C11 | H18 | 90.0° | 120.1° |
| C13 | C14 | C15 | 90.0° | 119.8° |
| C14 | C13 | C17 | 90.0° | 120.1° |
| C13 | C14 | H19 | 90.0° | 120.1° |
| C14 | C15 | C2 | 90.0° | 120.2° |
| C15 | C14 | H19 | 90.0° | 120.1° |
| C14 | C15 | H20 | 90.0° | 119.9° |
| C2 | C15 | H20 | 90.0° | 119.9° |
| C13 | C17 | O1 | 90.0° | 120.0° |
| C13 | C17 | O3 | 90.0° | 120.0° |
| O1 | C17 | O3 | 90.0° | 120.0° |
| C17 | O3 | C20 | 90.0° | 117.0° |
| O3 | C20 | H21 | 90.0° | 109.5° |
| O3 | C20 | H22 | 90.0° | 109.5° |
| O3 | C20 | H23 | 90.0° | 109.5° |
| H15 | C1 | H16 | 90.0° | 109.4° |
| H21 | C20 | H22 | 90.0° | 109.5° |
| H21 | C20 | H23 | 90.0° | 109.5° |
| H22 | C20 | H23 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | C8 | H10 | 120.3° | 120.0° |
| C10 | C9 | C8 | H11 | 120.3° | 120.0° |
| C10 | C9 | C8 | C7 | 161.4° | 180.0° |
| C10 | C9 | C8 | H8 | 78.6° | 60.0° |
| C10 | C9 | C8 | H9 | 41.3° | 60.0° |
| C10 | C9 | H10 | H11 | 119.2° | 120.0° |
| C9 | C10 | H12 | H13 | 120.0° | 119.9° |
| C9 | C10 | H12 | H14 | 120.0° | 120.0° |
| C9 | C10 | H13 | H14 | 120.0° | 119.9° |
| C9 | C8 | C7 | H8 | 120.0° | 120.0° |
| C9 | C8 | C7 | H9 | 120.0° | 120.0° |
| C9 | C8 | C7 | C6 | 174.1° | 180.0° |
| C9 | C8 | C7 | H6 | 53.7° | 60.0° |
| C9 | C8 | C7 | H7 | 65.4° | 60.0° |
| C9 | C8 | H8 | H9 | 119.9° | 120.0° |
| C8 | C9 | H10 | H11 | 119.2° | 120.0° |
| C8 | C9 | C10 | H12 | 180.0° | 59.9° |
| C8 | C9 | C10 | H13 | 60.0° | 60.0° |
| C8 | C9 | C10 | H14 | 60.0° | 180.0° |
| C8 | C7 | C6 | H6 | 120.4° | 120.0° |
| C8 | C7 | C6 | H7 | 120.4° | 120.1° |
| C8 | C7 | C6 | C12 | 74.9° | 65.0° |
| C8 | C7 | C6 | C5 | 157.5° | 175.0° |
| C8 | C7 | C6 | H5 | 41.7° | 55.0° |
| C8 | C7 | H6 | H7 | 118.6° | 120.1° |
| C7 | C8 | H8 | H9 | 119.9° | 120.1° |
| C7 | C8 | C9 | H10 | 41.1° | 60.0° |
| C7 | C8 | C9 | H11 | 78.4° | 59.9° |
| C7 | C6 | C12 | N14 | 100.8° | 120.3° |
| C7 | C6 | C12 | C5 | 124.7° | 120.0° |
| C7 | C6 | C12 | H5 | 115.7° | 120.0° |
| C7 | C6 | C5 | H5 | 115.8° | 120.0° |
| C7 | C6 | C12 | O13 | 51.8° | 60.1° |
| C7 | C6 | C5 | C3 | 75.4° | 65.0° |
| C7 | C6 | C5 | H3 | 164.3° | 55.0° |
| C7 | C6 | C5 | H4 | 44.8° | 175.0° |
| C6 | C7 | H6 | H7 | 118.7° | 120.0° |
| C6 | C7 | C8 | H8 | 65.8° | 60.1° |
| C6 | C7 | C8 | H9 | 54.1° | 60.0° |
| N14 | C16 | N15 | C1 | 61.1° | 179.9° |
| C16 | N14 | C12 | C6 | 154.3° | 179.9° |
| N14 | C16 | N15 | O13 | 0.2° | 0.0° |
| C16 | N14 | C12 | O13 | 1.4° | 0.3° |
| N14 | C16 | C1 | C2 | 90.0° | 90.0° |
| N14 | C16 | C1 | H15 | 90.0° | 150.0° |
| N14 | C16 | C1 | H16 | 90.0° | 30.0° |
| N15 | C16 | N14 | C12 | 0.8° | 0.2° |
| C16 | N15 | O13 | C12 | 1.1° | 0.2° |
| N15 | C16 | C1 | C2 | 90.0° | 90.2° |
| N15 | C16 | C1 | H15 | 90.0° | 29.9° |
| N15 | C16 | C1 | H16 | 90.0° | 149.8° |
| N14 | C12 | C6 | O13 | 152.6° | 179.6° |
| N14 | C12 | C6 | C5 | 134.5° | 119.7° |
| N14 | C12 | O13 | N15 | 1.6° | 0.3° |
| N14 | C12 | C6 | H5 | 14.9° | 0.3° |
| C12 | N14 | C16 | C1 | 104.5° | 179.9° |
| C12 | C6 | C5 | H5 | 120.3° | 120.0° |
| C6 | C12 | O13 | N15 | 161.6° | 180.0° |
| C12 | C6 | C5 | C3 | 160.6° | 175.0° |
| C12 | C6 | C5 | H3 | 40.4° | 65.0° |
| C12 | C6 | C5 | H4 | 79.1° | 55.0° |
| C12 | C6 | C7 | H6 | 45.6° | 175.0° |
| C12 | C6 | C7 | H7 | 164.7° | 55.0° |
| C5 | C6 | C12 | O13 | 72.9° | 59.9° |
| C6 | C5 | C3 | N1 | 96.5° | 180.0° |
| C6 | C5 | C3 | H3 | 120.2° | 120.0° |
| C6 | C5 | C3 | H4 | 120.2° | 120.0° |
| C6 | C5 | C3 | O4 | 84.0° | 0.1° |
| C6 | C5 | H3 | H4 | 119.2° | 120.0° |
| C5 | C6 | C7 | H6 | 82.1° | 55.0° |
| C5 | C6 | C7 | H7 | 37.1° | 65.0° |
| O13 | N15 | C16 | C1 | 61.0° | 179.9° |
| O13 | C12 | C6 | H5 | 167.5° | 179.9° |
| O2 | N1 | C3 | H1 | 180.0° | 179.8° |
| O2 | N1 | C3 | C5 | 179.5° | 179.7° |
| O2 | N1 | C3 | O4 | 1.0° | 0.2° |
| N1 | C3 | C5 | O4 | 179.5° | 179.9° |
| C3 | N1 | O2 | H2 | 0.4° | 180.0° |
| N1 | C3 | C5 | H3 | 143.3° | 59.9° |
| N1 | C3 | C5 | H4 | 23.8° | 60.0° |
| C5 | C3 | N1 | H1 | 0.5° | 0.0° |
| C3 | C5 | H3 | H4 | 119.2° | 120.0° |
| C3 | C5 | C6 | H5 | 40.4° | 55.0° |
| O4 | C3 | N1 | H1 | 179.0° | 180.0° |
| O4 | C3 | C5 | H3 | 36.3° | 120.0° |
| O4 | C3 | C5 | H4 | 155.8° | 120.0° |
| H1 | N1 | O2 | H2 | 179.6° | 0.2° |
| H3 | C5 | C6 | H5 | 79.9° | 175.0° |
| H4 | C5 | C6 | H5 | 160.6° | 65.0° |
| H5 | C6 | C7 | H6 | 162.1° | 65.0° |
| H5 | C6 | C7 | H7 | 78.8° | 175.0° |
| H6 | C7 | C8 | H8 | 173.7° | 180.0° |
| H6 | C7 | C8 | H9 | 66.3° | 60.0° |
| H7 | C7 | C8 | H8 | 54.6° | 60.0° |
| H7 | C7 | C8 | H9 | 174.6° | 180.0° |
| H8 | C8 | C9 | H10 | 161.1° | 180.0° |
| H8 | C8 | C9 | H11 | 41.6° | 60.0° |
| H9 | C8 | C9 | H10 | 78.9° | 60.0° |
| H9 | C8 | C9 | H11 | 161.6° | 180.0° |
| H10 | C9 | C10 | H12 | 59.8° | 179.9° |
| H10 | C9 | C10 | H13 | 60.3° | 60.0° |
| H10 | C9 | C10 | H14 | 179.8° | 60.0° |
| H11 | C9 | C10 | H12 | 59.7° | 60.1° |
| H11 | C9 | C10 | H13 | 179.7° | 180.0° |
| H11 | C9 | C10 | H14 | 60.3° | 60.0° |
| H12 | C10 | H13 | H14 | 120.0° | 120.1° |
| C16 | C1 | C2 | H15 | 90.0° | 120.0° |
| C16 | C1 | C2 | H16 | 90.0° | 120.0° |
| C16 | C1 | C2 | C4 | 90.0° | 90.0° |
| C16 | C1 | C2 | C15 | 90.0° | 90.3° |
| C16 | C1 | H15 | H16 | 90.0° | 120.0° |
| C1 | C2 | C4 | C15 | 90.0° | 179.7° |
| C1 | C2 | C4 | C11 | 90.0° | 180.0° |
| C1 | C2 | C15 | C14 | 90.0° | 179.8° |
| C2 | C1 | H15 | H16 | 90.0° | 120.0° |
| C1 | C2 | C4 | H17 | 90.0° | 0.0° |
| C1 | C2 | C15 | H20 | 90.0° | 0.2° |
| C2 | C4 | C11 | H17 | 90.0° | 180.0° |
| C2 | C4 | C11 | C13 | 90.0° | 0.0° |
| C4 | C2 | C15 | C14 | 90.0° | 0.5° |
| C4 | C2 | C1 | H15 | 90.0° | 30.0° |
| C4 | C2 | C1 | H16 | 90.0° | 150.0° |
| C2 | C4 | C11 | H18 | 90.0° | 180.0° |
| C4 | C2 | C15 | H20 | 90.0° | 180.0° |
| C4 | C11 | C13 | H18 | 90.0° | 180.0° |
| C4 | C11 | C13 | C14 | 90.0° | 0.0° |
| C11 | C4 | C2 | C15 | 90.0° | 0.2° |
| C4 | C11 | C13 | C17 | 90.0° | 180.0° |
| C11 | C13 | C14 | C17 | 90.0° | 180.0° |
| C11 | C13 | C14 | C15 | 90.0° | 0.2° |
| C11 | C13 | C17 | O1 | 90.0° | 0.0° |
| C11 | C13 | C17 | O3 | 90.0° | 180.0° |
| C13 | C11 | C4 | H17 | 90.0° | 180.0° |
| C11 | C13 | C14 | H19 | 90.0° | 179.9° |
| C13 | C14 | C15 | H19 | 90.0° | 179.9° |
| C13 | C14 | C15 | C2 | 90.0° | 0.4° |
| C14 | C13 | C17 | O1 | 90.0° | 180.0° |
| C14 | C13 | C17 | O3 | 90.0° | 0.0° |
| C14 | C13 | C11 | H18 | 90.0° | 180.0° |
| C13 | C14 | C15 | H20 | 90.0° | 180.0° |
| C14 | C15 | C2 | H20 | 90.0° | 179.6° |
| C15 | C14 | C13 | C17 | 90.0° | 179.8° |
| C15 | C2 | C1 | H15 | 90.0° | 149.7° |
| C15 | C2 | C1 | H16 | 90.0° | 29.7° |
| C15 | C2 | C4 | H17 | 90.0° | 179.7° |
| C2 | C15 | C14 | H19 | 90.0° | 179.7° |
| C13 | C17 | O1 | O3 | 90.0° | 180.0° |
| C13 | C17 | O3 | C20 | 90.0° | 180.0° |
| C17 | C13 | C11 | H18 | 90.0° | 0.0° |
| C17 | C13 | C14 | H19 | 90.0° | 0.1° |
| O1 | C17 | O3 | C20 | 90.0° | 0.0° |
| C17 | O3 | C20 | H21 | 90.0° | 60.0° |
| C17 | O3 | C20 | H22 | 90.0° | 60.0° |
| C17 | O3 | C20 | H23 | 90.0° | 180.0° |
| O3 | C20 | H21 | H22 | 90.0° | 120.0° |
| O3 | C20 | H21 | H23 | 90.0° | 120.0° |
| O3 | C20 | H22 | H23 | 90.0° | 120.0° |
| H17 | C4 | C11 | H18 | 90.0° | 0.0° |
| H19 | C14 | C15 | H20 | 90.0° | 0.1° |
| H21 | C20 | H22 | H23 | 90.0° | 120.0° |
