T5I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C6 | sing | 1.34Å | 1.39Å | |
| O11 | C9 | doub | 1.22Å | 1.19Å | |
| CL1 | C16 | sing | 1.74Å | 1.79Å | |
| C6 | C1 | sing | 1.50Å | 1.52Å | |
| C6 | C5 | doub | 1.38Å | 1.33Å | |
| C9 | C5 | sing | 1.47Å | 1.52Å | |
| C9 | C10 | sing | 1.48Å | 1.53Å | |
| C24 | SI2 | sing | 1.86Å | 1.89Å | |
| C23 | SI2 | sing | 1.86Å | 1.89Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C5 | C4 | sing | 1.47Å | 1.53Å | |
| C16 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C16 | C15 | sing | 1.39Å | 1.38Å | Aromatic |
| C10 | C12 | sing | 1.40Å | 1.39Å | Aromatic |
| SI2 | C25 | sing | 1.86Å | 1.89Å | |
| SI2 | C21 | sing | 1.86Å | 1.88Å | |
| C4 | C3 | sing | 1.51Å | 1.53Å | |
| C4 | O8 | doub | 1.21Å | 1.19Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| O19 | C15 | sing | 1.36Å | 1.41Å | |
| O19 | C20 | sing | 1.43Å | 1.41Å | |
| C15 | C14 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | S26 | sing | 1.76Å | 1.81Å | |
| O28 | S26 | doub | 1.42Å | 1.47Å | |
| S26 | O27 | doub | 1.42Å | 1.47Å | |
| S26 | C18 | sing | 1.82Å | 1.78Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| O7 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C6 | C1 | 115.5° | 118.7° |
| O7 | C6 | C5 | 121.4° | 118.8° |
| C6 | O7 | H27 | 109.5° | 117.0° |
| O11 | C9 | C5 | 119.7° | 120.0° |
| O11 | C9 | C10 | 116.1° | 120.0° |
| CL1 | C16 | C10 | 120.5° | 120.1° |
| CL1 | C16 | C15 | 119.7° | 120.1° |
| C1 | C6 | C5 | 121.0° | 122.5° |
| C6 | C1 | C2 | 109.9° | 111.1° |
| C6 | C1 | H9 | 109.3° | 109.2° |
| C6 | C1 | H10 | 109.4° | 109.1° |
| C6 | C5 | C9 | 120.2° | 119.9° |
| C6 | C5 | C4 | 120.5° | 120.1° |
| C5 | C9 | C10 | 124.1° | 120.0° |
| C9 | C5 | C4 | 119.1° | 120.0° |
| C9 | C10 | C16 | 119.9° | 120.1° |
| C9 | C10 | C12 | 119.6° | 120.1° |
| C24 | SI2 | C23 | 110.9° | 109.5° |
| C24 | SI2 | C25 | 110.2° | 109.5° |
| C24 | SI2 | C21 | 106.6° | 109.5° |
| SI2 | C24 | H6 | 109.5° | 109.5° |
| SI2 | C24 | H7 | 109.4° | 109.5° |
| SI2 | C24 | H8 | 109.5° | 109.5° |
| C23 | SI2 | C25 | 106.8° | 109.5° |
| C23 | SI2 | C21 | 109.9° | 109.5° |
| SI2 | C23 | H21 | 109.5° | 109.5° |
| SI2 | C23 | H22 | 109.5° | 109.5° |
| SI2 | C23 | H23 | 109.4° | 109.5° |
| C1 | C2 | C3 | 109.5° | 109.3° |
| C2 | C1 | H9 | 109.4° | 109.2° |
| C2 | C1 | H10 | 109.4° | 109.1° |
| C1 | C2 | H11 | 109.5° | 109.5° |
| C1 | C2 | H12 | 109.4° | 109.5° |
| C5 | C4 | C3 | 118.1° | 117.7° |
| C5 | C4 | O8 | 121.4° | 121.1° |
| C10 | C16 | C15 | 119.8° | 119.8° |
| C16 | C10 | C12 | 120.5° | 119.8° |
| C16 | C15 | O19 | 121.5° | 120.0° |
| C16 | C15 | C14 | 119.4° | 120.0° |
| C10 | C12 | C13 | 119.7° | 120.0° |
| C10 | C12 | H17 | 120.1° | 120.1° |
| C25 | SI2 | C21 | 112.5° | 109.5° |
| SI2 | C25 | H24 | 109.5° | 109.4° |
| SI2 | C25 | H25 | 109.5° | 109.5° |
| SI2 | C25 | H26 | 109.4° | 109.5° |
| SI2 | C21 | C20 | 109.1° | 109.5° |
| SI2 | C21 | H4 | 109.6° | 109.4° |
| SI2 | C21 | H5 | 109.6° | 109.4° |
| C3 | C4 | O8 | 120.5° | 121.2° |
| C4 | C3 | C2 | 107.1° | 107.5° |
| C4 | C3 | H13 | 110.0° | 109.9° |
| C4 | C3 | H14 | 110.0° | 109.9° |
| C3 | C2 | H11 | 109.5° | 109.5° |
| C3 | C2 | H12 | 109.5° | 109.5° |
| C2 | C3 | H13 | 110.1° | 109.9° |
| C2 | C3 | H14 | 110.0° | 109.9° |
| C15 | O19 | C20 | 114.1° | 117.0° |
| O19 | C15 | C14 | 119.1° | 120.0° |
| O19 | C20 | C21 | 111.9° | 109.5° |
| O19 | C20 | H2 | 108.8° | 109.5° |
| O19 | C20 | H3 | 108.8° | 109.5° |
| C15 | C14 | C13 | 121.3° | 120.3° |
| C15 | C14 | S26 | 117.1° | 119.9° |
| C12 | C13 | C14 | 119.4° | 120.2° |
| C12 | C13 | H1 | 120.3° | 119.9° |
| C13 | C12 | H17 | 120.2° | 120.0° |
| C21 | C20 | H2 | 108.9° | 109.5° |
| C21 | C20 | H3 | 108.8° | 109.5° |
| C20 | C21 | H4 | 109.6° | 109.5° |
| C20 | C21 | H5 | 109.6° | 109.5° |
| C13 | C14 | S26 | 121.5° | 119.8° |
| C14 | C13 | H1 | 120.3° | 119.9° |
| C14 | S26 | O28 | 109.5° | 104.3° |
| C14 | S26 | O27 | 111.7° | 104.3° |
| C14 | S26 | C18 | 112.8° | 104.4° |
| O28 | S26 | O27 | 103.1° | 121.1° |
| O28 | S26 | C18 | 111.0° | 110.5° |
| O27 | S26 | C18 | 108.3° | 110.5° |
| S26 | C18 | H18 | 109.5° | 109.4° |
| S26 | C18 | H19 | 109.5° | 109.4° |
| S26 | C18 | H20 | 109.4° | 109.4° |
| H2 | C20 | H3 | 109.5° | 109.4° |
| H4 | C21 | H5 | 109.5° | 109.5° |
| H6 | C24 | H7 | 109.5° | 109.4° |
| H6 | C24 | H8 | 109.4° | 109.4° |
| H7 | C24 | H8 | 109.5° | 109.4° |
| H9 | C1 | H10 | 109.5° | 109.2° |
| H11 | C2 | H12 | 109.5° | 109.6° |
| H13 | C3 | H14 | 109.5° | 109.8° |
| H18 | C18 | H19 | 109.4° | 109.5° |
| H18 | C18 | H20 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.5° |
| H21 | C23 | H23 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.4° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H24 | C25 | H26 | 109.5° | 109.5° |
| H25 | C25 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C6 | C1 | C5 | 164.2° | 179.9° |
| O7 | C6 | C5 | C9 | 25.8° | 0.6° |
| O7 | C6 | C1 | C2 | 168.6° | 157.9° |
| O7 | C6 | C5 | C4 | 159.5° | 179.4° |
| O7 | C6 | C1 | H9 | 71.4° | 37.5° |
| O7 | C6 | C1 | H10 | 48.5° | 81.7° |
| O11 | C9 | C5 | C6 | 22.8° | 66.5° |
| O11 | C9 | C5 | C10 | 179.2° | 180.0° |
| O11 | C9 | C5 | C4 | 162.5° | 113.4° |
| O11 | C9 | C10 | C16 | 87.7° | 5.7° |
| O11 | C9 | C10 | C12 | 89.2° | 174.6° |
| CL1 | C16 | C10 | C9 | 2.9° | 0.2° |
| CL1 | C16 | C10 | C15 | 179.3° | 180.0° |
| CL1 | C16 | C10 | C12 | 179.8° | 180.0° |
| CL1 | C16 | C15 | O19 | 0.2° | 0.2° |
| CL1 | C16 | C15 | C14 | 180.0° | 179.6° |
| C1 | C6 | C5 | C9 | 170.9° | 179.5° |
| C6 | C1 | C2 | H9 | 120.0° | 120.4° |
| C6 | C1 | C2 | H10 | 120.1° | 120.3° |
| C1 | C6 | C5 | C4 | 3.7° | 0.5° |
| C6 | C1 | C2 | C3 | 61.5° | 53.4° |
| C6 | C1 | H9 | H10 | 119.8° | 119.2° |
| C6 | C1 | C2 | H11 | 178.5° | 173.3° |
| C6 | C1 | C2 | H12 | 58.5° | 66.5° |
| C1 | C6 | O7 | H27 | 178.5° | 175.1° |
| C6 | C5 | C9 | C4 | 174.7° | 180.0° |
| C6 | C5 | C9 | C10 | 156.4° | 113.5° |
| C5 | C6 | C1 | C2 | 27.2° | 22.0° |
| C6 | C5 | C4 | C3 | 1.2° | 11.8° |
| C6 | C5 | C4 | O8 | 179.0° | 168.2° |
| C5 | C6 | C1 | H9 | 92.8° | 142.4° |
| C5 | C6 | C1 | H10 | 147.3° | 98.3° |
| C5 | C6 | O7 | H27 | 14.4° | 4.9° |
| C5 | C9 | C10 | C16 | 93.0° | 174.3° |
| C5 | C9 | C10 | C12 | 90.1° | 5.5° |
| C9 | C5 | C4 | C3 | 173.5° | 168.2° |
| C9 | C5 | C4 | O8 | 6.3° | 11.8° |
| C10 | C9 | C5 | C4 | 18.3° | 66.5° |
| C9 | C10 | C16 | C12 | 176.9° | 179.8° |
| C9 | C10 | C16 | C15 | 177.8° | 179.8° |
| C9 | C10 | C12 | C13 | 177.3° | 180.0° |
| C9 | C10 | C12 | H17 | 2.7° | 0.0° |
| C24 | SI2 | C23 | C25 | 120.1° | 120.0° |
| C24 | SI2 | C23 | C21 | 117.6° | 120.0° |
| C24 | SI2 | C25 | C21 | 118.8° | 120.0° |
| C24 | SI2 | C21 | C20 | 57.1° | 60.0° |
| C24 | SI2 | C21 | H4 | 177.1° | 60.0° |
| C24 | SI2 | C21 | H5 | 62.8° | 180.0° |
| SI2 | C24 | H6 | H7 | 120.0° | 120.0° |
| SI2 | C24 | H6 | H8 | 120.0° | 120.0° |
| SI2 | C24 | H7 | H8 | 120.0° | 120.1° |
| C24 | SI2 | C23 | H21 | 180.0° | 60.0° |
| C24 | SI2 | C23 | H22 | 60.0° | 180.0° |
| C24 | SI2 | C23 | H23 | 60.0° | 60.1° |
| C24 | SI2 | C25 | H24 | 180.0° | 60.0° |
| C24 | SI2 | C25 | H25 | 60.0° | 180.0° |
| C24 | SI2 | C25 | H26 | 60.0° | 60.0° |
| C23 | SI2 | C25 | C21 | 120.6° | 120.0° |
| C23 | SI2 | C21 | C20 | 63.2° | 180.0° |
| C23 | SI2 | C21 | H4 | 56.8° | 60.0° |
| C23 | SI2 | C21 | H5 | 176.9° | 60.0° |
| C23 | SI2 | C24 | H6 | 180.0° | 60.0° |
| C23 | SI2 | C24 | H7 | 60.0° | 180.0° |
| C23 | SI2 | C24 | H8 | 60.0° | 60.0° |
| SI2 | C23 | H21 | H22 | 120.0° | 120.0° |
| SI2 | C23 | H21 | H23 | 120.0° | 120.0° |
| SI2 | C23 | H22 | H23 | 120.0° | 120.0° |
| C23 | SI2 | C25 | H24 | 59.5° | 60.0° |
| C23 | SI2 | C25 | H25 | 60.6° | 60.0° |
| C23 | SI2 | C25 | H26 | 179.5° | 180.0° |
| C1 | C2 | C3 | C4 | 62.5° | 63.3° |
| C1 | C2 | C3 | H11 | 120.0° | 119.9° |
| C1 | C2 | C3 | H12 | 120.0° | 119.9° |
| C2 | C1 | H9 | H10 | 119.8° | 119.2° |
| C1 | C2 | H11 | H12 | 120.0° | 120.1° |
| C1 | C2 | C3 | H13 | 177.9° | 56.3° |
| C1 | C2 | C3 | H14 | 57.2° | 177.2° |
| C5 | C4 | C3 | O8 | 179.9° | 179.9° |
| C5 | C4 | C3 | C2 | 31.5° | 42.7° |
| C5 | C4 | C3 | H13 | 151.1° | 76.8° |
| C5 | C4 | C3 | H14 | 88.1° | 162.2° |
| C10 | C16 | C15 | O19 | 179.4° | 179.8° |
| C10 | C16 | C15 | C14 | 0.7° | 0.4° |
| C16 | C10 | C12 | C13 | 0.5° | 0.3° |
| C16 | C10 | C12 | H17 | 179.5° | 179.8° |
| C15 | C16 | C10 | C12 | 1.0° | 0.0° |
| C16 | C15 | O19 | C14 | 179.9° | 179.4° |
| C16 | C15 | O19 | C20 | 77.1° | 82.5° |
| C16 | C15 | C14 | C13 | 0.1° | 0.7° |
| C16 | C15 | C14 | S26 | 179.5° | 180.0° |
| C10 | C12 | C13 | H17 | 180.0° | 180.0° |
| C10 | C12 | C13 | C14 | 0.3° | 0.0° |
| C10 | C12 | C13 | H1 | 179.7° | 180.0° |
| C25 | SI2 | C21 | C20 | 178.0° | 60.0° |
| C25 | SI2 | C21 | H4 | 62.0° | 180.0° |
| C25 | SI2 | C21 | H5 | 58.1° | 60.0° |
| C25 | SI2 | C24 | H6 | 62.0° | 60.0° |
| C25 | SI2 | C24 | H7 | 58.0° | 60.0° |
| C25 | SI2 | C24 | H8 | 178.0° | 180.0° |
| C25 | SI2 | C23 | H21 | 59.9° | 180.0° |
| C25 | SI2 | C23 | H22 | 179.9° | 60.0° |
| C25 | SI2 | C23 | H23 | 60.1° | 60.0° |
| SI2 | C25 | H24 | H25 | 120.0° | 120.0° |
| SI2 | C25 | H24 | H26 | 120.0° | 120.0° |
| SI2 | C25 | H25 | H26 | 120.0° | 120.0° |
| SI2 | C21 | C20 | O19 | 67.3° | 180.0° |
| SI2 | C21 | C20 | H4 | 119.9° | 119.9° |
| SI2 | C21 | C20 | H5 | 119.9° | 120.0° |
| SI2 | C21 | C20 | H2 | 53.1° | 60.0° |
| SI2 | C21 | C20 | H3 | 172.3° | 60.0° |
| SI2 | C21 | H4 | H5 | 120.2° | 119.9° |
| C21 | SI2 | C24 | H6 | 60.4° | 180.0° |
| C21 | SI2 | C24 | H7 | 179.6° | 60.0° |
| C21 | SI2 | C24 | H8 | 59.6° | 60.0° |
| C21 | SI2 | C23 | H21 | 62.4° | 60.0° |
| C21 | SI2 | C23 | H22 | 57.6° | 60.0° |
| C21 | SI2 | C23 | H23 | 177.6° | 180.0° |
| C21 | SI2 | C25 | H24 | 61.2° | 180.0° |
| C21 | SI2 | C25 | H25 | 178.8° | 60.0° |
| C21 | SI2 | C25 | H26 | 58.8° | 60.0° |
| C4 | C3 | C2 | H13 | 119.6° | 119.5° |
| C4 | C3 | C2 | H14 | 119.6° | 119.5° |
| C4 | C3 | C2 | H11 | 177.5° | 176.8° |
| C4 | C3 | C2 | H12 | 57.5° | 56.7° |
| C4 | C3 | H13 | H14 | 121.1° | 121.0° |
| O8 | C4 | C3 | C2 | 148.3° | 137.3° |
| O8 | C4 | C3 | H13 | 28.7° | 103.2° |
| O8 | C4 | C3 | H14 | 92.0° | 17.8° |
| C3 | C2 | C1 | H9 | 58.5° | 173.9° |
| C3 | C2 | C1 | H10 | 178.4° | 66.9° |
| C3 | C2 | H11 | H12 | 120.0° | 120.1° |
| C2 | C3 | H13 | H14 | 121.1° | 120.9° |
| C15 | O19 | C20 | C21 | 157.8° | 176.3° |
| O19 | C15 | C14 | C13 | 179.8° | 180.0° |
| O19 | C15 | C14 | S26 | 0.4° | 0.7° |
| C15 | O19 | C20 | H2 | 81.8° | 63.7° |
| C15 | O19 | C20 | H3 | 37.5° | 56.3° |
| C20 | O19 | C15 | C14 | 103.0° | 96.9° |
| O19 | C20 | C21 | H2 | 120.4° | 120.1° |
| O19 | C20 | C21 | H3 | 120.4° | 120.0° |
| O19 | C20 | H2 | H3 | 118.9° | 120.0° |
| O19 | C20 | C21 | H4 | 52.6° | 60.1° |
| O19 | C20 | C21 | H5 | 172.8° | 60.0° |
| C15 | C14 | C13 | C12 | 0.6° | 0.4° |
| C15 | C14 | C13 | S26 | 179.4° | 179.3° |
| C15 | C14 | S26 | O28 | 58.1° | 178.4° |
| C15 | C14 | S26 | O27 | 55.5° | 50.5° |
| C15 | C14 | S26 | C18 | 177.8° | 65.5° |
| C15 | C14 | C13 | H1 | 179.4° | 179.6° |
| C12 | C13 | C14 | H1 | 180.0° | 180.0° |
| C12 | C13 | C14 | S26 | 179.9° | 179.8° |
| C21 | C20 | H2 | H3 | 118.9° | 120.0° |
| C20 | C21 | H4 | H5 | 120.2° | 120.1° |
| C13 | C14 | S26 | O28 | 121.3° | 2.2° |
| C13 | C14 | S26 | O27 | 125.1° | 130.2° |
| C13 | C14 | S26 | C18 | 2.8° | 113.8° |
| C14 | C13 | C12 | H17 | 179.7° | 180.0° |
| C14 | S26 | O28 | O27 | 119.0° | 116.8° |
| C14 | S26 | O28 | C18 | 125.2° | 111.7° |
| C14 | S26 | O27 | C18 | 124.9° | 111.7° |
| S26 | C14 | C13 | H1 | 0.0° | 0.2° |
| C14 | S26 | C18 | H18 | 180.0° | 65.1° |
| C14 | S26 | C18 | H19 | 60.0° | 174.9° |
| C14 | S26 | C18 | H20 | 60.0° | 54.9° |
| O28 | S26 | O27 | C18 | 117.7° | 131.5° |
| O28 | S26 | C18 | H18 | 56.7° | 176.7° |
| O28 | S26 | C18 | H19 | 176.7° | 63.3° |
| O28 | S26 | C18 | H20 | 63.3° | 56.7° |
| O27 | S26 | C18 | H18 | 55.8° | 46.5° |
| O27 | S26 | C18 | H19 | 64.2° | 73.5° |
| O27 | S26 | C18 | H20 | 175.8° | 166.5° |
| S26 | C18 | H18 | H19 | 120.0° | 120.0° |
| S26 | C18 | H18 | H20 | 120.0° | 120.0° |
| S26 | C18 | H19 | H20 | 120.0° | 119.9° |
| H1 | C13 | C12 | H17 | 0.3° | 0.0° |
| H2 | C20 | C21 | H4 | 173.0° | 60.0° |
| H2 | C20 | C21 | H5 | 66.9° | 179.9° |
| H3 | C20 | C21 | H4 | 67.7° | 179.9° |
| H3 | C20 | C21 | H5 | 52.4° | 60.0° |
| H6 | C24 | H7 | H8 | 120.0° | 119.9° |
| H9 | C1 | C2 | H11 | 61.5° | 66.2° |
| H9 | C1 | C2 | H12 | 178.5° | 53.9° |
| H10 | C1 | C2 | H11 | 58.4° | 53.0° |
| H10 | C1 | C2 | H12 | 61.6° | 173.1° |
| H11 | C2 | C3 | H13 | 57.9° | 63.6° |
| H11 | C2 | C3 | H14 | 62.8° | 57.3° |
| H12 | C2 | C3 | H13 | 62.1° | 176.2° |
| H12 | C2 | C3 | H14 | 177.2° | 62.9° |
| H18 | C18 | H19 | H20 | 120.0° | 120.1° |
| H21 | C23 | H22 | H23 | 120.0° | 120.0° |
| H24 | C25 | H25 | H26 | 120.0° | 120.0° |
