SI3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | O9 | sing | 1.43Å | 1.42Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| O7 | C7 | sing | 1.43Å | 1.42Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | O8 | sing | 1.43Å | 1.46Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| O10 | C10 | doub | 1.21Å | 1.27Å | |
| O6 | C6 | sing | 1.43Å | 1.42Å | |
| C6 | C5 | sing | 1.53Å | 1.49Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | N5 | sing | 1.35Å | 1.35Å | |
| C5 | N5 | sing | 1.47Å | 1.49Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| O1B | C1 | doub | 1.21Å | 1.20Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C4 | O4 | sing | 1.43Å | 1.45Å | |
| C1 | O1A | sing | 1.35Å | 1.27Å | |
| C1 | C2 | sing | 1.49Å | 1.41Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C2 | O2 | doub | 1.21Å | 1.26Å | |
| O1A | H1 | sing | 0.97Å | 0.95Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | H5 | sing | 0.97Å | 0.95Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| N5 | H7 | sing | 0.97Å | 1.00Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| O6 | H12 | sing | 0.97Å | 0.95Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| O7 | H14 | sing | 0.97Å | 0.95Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| O8 | H16 | sing | 0.97Å | 0.95Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| O9 | H19 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | C9 | C8 | 110.0° | 109.5° |
| O9 | C9 | H17 | 109.3° | 109.5° |
| O9 | C9 | H18 | 109.3° | 109.4° |
| C9 | O9 | H19 | 109.5° | 114.0° |
| C9 | C8 | C7 | 115.4° | 109.5° |
| C9 | C8 | O8 | 107.1° | 109.5° |
| C9 | C8 | H15 | 108.1° | 109.5° |
| C8 | C9 | H17 | 109.3° | 109.5° |
| C8 | C9 | H18 | 109.3° | 109.5° |
| O7 | C7 | C8 | 111.2° | 109.5° |
| O7 | C7 | C6 | 105.9° | 109.4° |
| O7 | C7 | H13 | 109.3° | 109.5° |
| C7 | O7 | H14 | 109.5° | 114.0° |
| C7 | C8 | O8 | 109.4° | 109.5° |
| C8 | C7 | C6 | 114.8° | 109.5° |
| C8 | C7 | H13 | 108.0° | 109.5° |
| C7 | C8 | H15 | 108.0° | 109.5° |
| O8 | C8 | H15 | 108.7° | 109.5° |
| C8 | O8 | H16 | 109.5° | 114.0° |
| C7 | C6 | O6 | 110.4° | 109.4° |
| C7 | C6 | C5 | 119.2° | 109.5° |
| C7 | C6 | H11 | 108.2° | 109.4° |
| C6 | C7 | H13 | 107.6° | 109.4° |
| O10 | C10 | C11 | 122.3° | 120.0° |
| O10 | C10 | N5 | 119.6° | 120.0° |
| O6 | C6 | C5 | 100.0° | 109.5° |
| O6 | C6 | H11 | 109.9° | 109.5° |
| C6 | O6 | H12 | 109.5° | 114.0° |
| C6 | C5 | N5 | 112.1° | 109.5° |
| C6 | C5 | C4 | 106.8° | 109.5° |
| C6 | C5 | H6 | 109.2° | 109.4° |
| C5 | C6 | H11 | 108.8° | 109.5° |
| C11 | C10 | N5 | 118.1° | 120.0° |
| C10 | C11 | H8 | 109.5° | 109.5° |
| C10 | C11 | H9 | 109.4° | 109.5° |
| C10 | C11 | H10 | 109.5° | 109.5° |
| C10 | N5 | C5 | 122.7° | 120.0° |
| C10 | N5 | H7 | 118.7° | 120.0° |
| N5 | C5 | C4 | 111.2° | 109.5° |
| N5 | C5 | H6 | 109.1° | 109.4° |
| C5 | N5 | H7 | 118.7° | 120.0° |
| C5 | C4 | C3 | 113.0° | 109.5° |
| C5 | C4 | O4 | 108.6° | 109.5° |
| C5 | C4 | H4 | 109.9° | 109.5° |
| C4 | C5 | H6 | 108.4° | 109.5° |
| O1B | C1 | O1A | 115.4° | 120.0° |
| O1B | C1 | C2 | 116.2° | 120.0° |
| C3 | C4 | O4 | 103.5° | 109.5° |
| C4 | C3 | C2 | 115.1° | 109.5° |
| C4 | C3 | H2 | 108.0° | 109.5° |
| C4 | C3 | H3 | 108.0° | 109.4° |
| C3 | C4 | H4 | 110.4° | 109.5° |
| O4 | C4 | H4 | 111.4° | 109.5° |
| C4 | O4 | H5 | 109.5° | 114.0° |
| O1A | C1 | C2 | 127.8° | 120.0° |
| C1 | O1A | H1 | 109.5° | 117.0° |
| C1 | C2 | C3 | 118.2° | 120.0° |
| C1 | C2 | O2 | 113.9° | 120.0° |
| C3 | C2 | O2 | 127.9° | 120.0° |
| C2 | C3 | H2 | 108.0° | 109.5° |
| C2 | C3 | H3 | 108.0° | 109.5° |
| H2 | C3 | H3 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H8 | C11 | H10 | 109.5° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H17 | C9 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C9 | C8 | H17 | 120.1° | 120.0° |
| O9 | C9 | C8 | H18 | 120.1° | 120.0° |
| O9 | C9 | C8 | C7 | 49.6° | 175.0° |
| O9 | C9 | C8 | O8 | 72.4° | 65.0° |
| O9 | C9 | C8 | H15 | 170.7° | 55.0° |
| O9 | C9 | H17 | H18 | 119.7° | 120.0° |
| C9 | C8 | C7 | O7 | 75.5° | 60.0° |
| C9 | C8 | C7 | O8 | 120.7° | 120.0° |
| C9 | C8 | C7 | H15 | 121.1° | 120.0° |
| C9 | C8 | O8 | H15 | 116.6° | 120.0° |
| C9 | C8 | C7 | C6 | 164.3° | 180.0° |
| C9 | C8 | C7 | H13 | 44.3° | 60.0° |
| C9 | C8 | O8 | H16 | 180.0° | 60.0° |
| C8 | C9 | H17 | H18 | 119.8° | 120.0° |
| C8 | C9 | O9 | H19 | 180.0° | 180.0° |
| O7 | C7 | C8 | C6 | 120.2° | 120.0° |
| O7 | C7 | C8 | H13 | 119.8° | 120.0° |
| O7 | C7 | C8 | O8 | 163.8° | 180.0° |
| O7 | C7 | C6 | H13 | 116.8° | 120.0° |
| O7 | C7 | C6 | O6 | 71.7° | 65.0° |
| O7 | C7 | C6 | C5 | 43.1° | 55.0° |
| O7 | C7 | C6 | H11 | 168.0° | 175.0° |
| O7 | C7 | C8 | H15 | 45.6° | 60.0° |
| C7 | C8 | O8 | H15 | 117.8° | 120.0° |
| C8 | C7 | C6 | H13 | 120.2° | 120.0° |
| C8 | C7 | C6 | O6 | 51.3° | 55.0° |
| C8 | C7 | C6 | C5 | 166.1° | 175.0° |
| C8 | C7 | C6 | H11 | 68.9° | 65.0° |
| C8 | C7 | O7 | H14 | 167.7° | 60.0° |
| C7 | C8 | O8 | H16 | 54.3° | 60.0° |
| C7 | C8 | C9 | H17 | 70.5° | 55.0° |
| C7 | C8 | C9 | H18 | 169.7° | 65.0° |
| O8 | C8 | C7 | C6 | 43.6° | 60.0° |
| O8 | C8 | C7 | H13 | 76.4° | 60.0° |
| O8 | C8 | C9 | H17 | 167.5° | 175.0° |
| O8 | C8 | C9 | H18 | 47.7° | 55.0° |
| C7 | C6 | O6 | C5 | 126.4° | 120.0° |
| C7 | C6 | O6 | H11 | 119.2° | 120.0° |
| C7 | C6 | C5 | H11 | 124.6° | 120.0° |
| C7 | C6 | C5 | N5 | 57.5° | 60.0° |
| C7 | C6 | C5 | C4 | 179.5° | 180.0° |
| C7 | C6 | C5 | H6 | 63.6° | 60.0° |
| C7 | C6 | O6 | H12 | 180.0° | 60.1° |
| C6 | C7 | O7 | H14 | 67.0° | 60.0° |
| C6 | C7 | C8 | H15 | 74.6° | 60.0° |
| O10 | C10 | C11 | N5 | 179.5° | 180.0° |
| O10 | C10 | N5 | C5 | 10.1° | 5.0° |
| O10 | C10 | N5 | H7 | 169.9° | 175.0° |
| O10 | C10 | C11 | H8 | 0.0° | 120.0° |
| O10 | C10 | C11 | H9 | 120.0° | 0.0° |
| O10 | C10 | C11 | H10 | 120.0° | 120.0° |
| O6 | C6 | C5 | H11 | 115.1° | 120.0° |
| O6 | C6 | C5 | N5 | 177.7° | 180.0° |
| O6 | C6 | C5 | C4 | 60.3° | 60.0° |
| O6 | C6 | C5 | H6 | 56.7° | 60.0° |
| O6 | C6 | C7 | H13 | 171.5° | 175.0° |
| C6 | C5 | N5 | C10 | 99.4° | 125.1° |
| C6 | C5 | N5 | C4 | 119.4° | 120.0° |
| C6 | C5 | N5 | H6 | 121.1° | 119.9° |
| C6 | C5 | C4 | H6 | 117.5° | 120.0° |
| C6 | C5 | C4 | C3 | 159.1° | 178.9° |
| C6 | C5 | C4 | O4 | 86.7° | 58.9° |
| C6 | C5 | C4 | H4 | 35.3° | 61.1° |
| C6 | C5 | N5 | H7 | 80.6° | 54.9° |
| C5 | C6 | O6 | H12 | 53.6° | 60.0° |
| C5 | C6 | C7 | H13 | 73.7° | 65.0° |
| C11 | C10 | N5 | C5 | 169.5° | 175.0° |
| C11 | C10 | N5 | H7 | 10.6° | 5.0° |
| C10 | C11 | H8 | H9 | 120.0° | 120.0° |
| C10 | C11 | H8 | H10 | 120.0° | 120.0° |
| C10 | C11 | H9 | H10 | 120.0° | 120.0° |
| C10 | N5 | C5 | H7 | 180.0° | 180.0° |
| C10 | N5 | C5 | C4 | 141.2° | 114.9° |
| C10 | N5 | C5 | H6 | 21.7° | 5.2° |
| N5 | C10 | C11 | H8 | 179.5° | 60.0° |
| N5 | C10 | C11 | H9 | 59.5° | 180.0° |
| N5 | C10 | C11 | H10 | 60.5° | 60.0° |
| N5 | C5 | C4 | H6 | 120.0° | 120.0° |
| N5 | C5 | C4 | C3 | 78.3° | 58.9° |
| N5 | C5 | C4 | O4 | 35.9° | 61.1° |
| N5 | C5 | C4 | H4 | 157.9° | 178.9° |
| N5 | C5 | C6 | H11 | 67.1° | 60.0° |
| C5 | C4 | C3 | O4 | 117.3° | 120.0° |
| C5 | C4 | C3 | H4 | 123.5° | 120.0° |
| C5 | C4 | O4 | H4 | 121.1° | 120.0° |
| C5 | C4 | C3 | C2 | 60.1° | 175.0° |
| C5 | C4 | C3 | H2 | 60.8° | 54.9° |
| C5 | C4 | C3 | H3 | 179.1° | 65.0° |
| C5 | C4 | O4 | H5 | 85.6° | 55.2° |
| C4 | C5 | N5 | H7 | 38.8° | 65.1° |
| C4 | C5 | C6 | H11 | 54.8° | 60.0° |
| O1B | C1 | O1A | C2 | 170.3° | 180.0° |
| O1B | C1 | C2 | C3 | 111.6° | 0.0° |
| O1B | C1 | C2 | O2 | 68.8° | 180.0° |
| O1B | C1 | O1A | H1 | 0.0° | 0.0° |
| C3 | C4 | O4 | H4 | 118.6° | 120.0° |
| C4 | C3 | C2 | C1 | 132.5° | 180.0° |
| C4 | C3 | C2 | H2 | 120.8° | 120.0° |
| C4 | C3 | C2 | H3 | 120.8° | 119.9° |
| C4 | C3 | C2 | O2 | 48.0° | 0.0° |
| C4 | C3 | H2 | H3 | 117.4° | 120.0° |
| C3 | C4 | O4 | H5 | 34.7° | 64.9° |
| C3 | C4 | C5 | H6 | 41.6° | 61.1° |
| O4 | C4 | C3 | C2 | 57.2° | 65.0° |
| O4 | C4 | C3 | H2 | 178.0° | 175.0° |
| O4 | C4 | C3 | H3 | 63.6° | 55.0° |
| O4 | C4 | C5 | H6 | 155.9° | 178.9° |
| O1A | C1 | C2 | C3 | 78.1° | 180.0° |
| O1A | C1 | C2 | O2 | 101.4° | 0.0° |
| C1 | C2 | C3 | O2 | 179.5° | 180.0° |
| C2 | C1 | O1A | H1 | 170.3° | 180.0° |
| C1 | C2 | C3 | H2 | 11.7° | 60.0° |
| C1 | C2 | C3 | H3 | 106.7° | 60.0° |
| C2 | C3 | H2 | H3 | 117.5° | 120.0° |
| C2 | C3 | C4 | H4 | 176.5° | 55.0° |
| O2 | C2 | C3 | H2 | 168.8° | 120.0° |
| O2 | C2 | C3 | H3 | 72.8° | 120.0° |
| H2 | C3 | C4 | H4 | 62.7° | 65.0° |
| H3 | C3 | C4 | H4 | 55.6° | 175.0° |
| H4 | C4 | O4 | H5 | 153.3° | 175.2° |
| H4 | C4 | C5 | H6 | 82.1° | 58.9° |
| H6 | C5 | N5 | H7 | 158.4° | 174.8° |
| H6 | C5 | C6 | H11 | 171.8° | 179.9° |
| H8 | C11 | H9 | H10 | 120.0° | 120.0° |
| H11 | C6 | O6 | H12 | 60.8° | 180.0° |
| H11 | C6 | C7 | H13 | 51.3° | 55.0° |
| H13 | C7 | O7 | H14 | 48.7° | 179.9° |
| H13 | C7 | C8 | H15 | 165.4° | 180.0° |
| H15 | C8 | O8 | H16 | 63.4° | 180.0° |
| H15 | C8 | C9 | H17 | 50.6° | 65.0° |
| H15 | C8 | C9 | H18 | 69.3° | 175.0° |
| H17 | C9 | O9 | H19 | 59.9° | 60.0° |
| H18 | C9 | O9 | H19 | 59.9° | 60.0° |
