BF5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | F1 | sing | 1.35Å | 1.33Å | |
| C1 | C2 | doub | 1.34Å | 1.39Å | |
| C1 | C4 | sing | 1.49Å | 1.39Å | |
| N1 | C2 | sing | 1.40Å | 1.43Å | |
| N1 | C13 | sing | 1.47Å | 1.49Å | |
| N1 | C16 | sing | 1.47Å | 1.48Å | |
| O1 | C3 | sing | 1.37Å | 1.37Å | |
| O1 | C5 | sing | 1.43Å | 1.44Å | |
| C2 | C3 | sing | 1.46Å | 1.40Å | |
| N2 | C6 | sing | 1.47Å | 1.47Å | |
| N2 | C9 | sing | 1.39Å | 1.42Å | |
| N2 | C10 | sing | 1.35Å | 1.36Å | |
| O2 | C12 | sing | 1.36Å | 1.27Å | |
| C3 | C9 | doub | 1.37Å | 1.42Å | |
| N3 | N4 | sing | 1.45Å | 1.41Å | |
| N3 | C14 | sing | 1.47Å | 1.48Å | |
| N3 | C15 | sing | 1.47Å | 1.47Å | |
| O3 | C17 | doub | 1.22Å | 1.24Å | |
| C4 | C8 | sing | 1.50Å | 1.37Å | |
| O4 | C17 | sing | 1.23Å | 1.27Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.42Å | 1.39Å | |
| C8 | C12 | doub | 1.36Å | 1.50Å | |
| C10 | C11 | doub | 1.38Å | 1.40Å | |
| C11 | C12 | sing | 1.47Å | 1.48Å | |
| C11 | C17 | sing | 1.46Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 1.01Å | 1.00Å | |
| N4 | HN4A | sing | 1.01Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F1 | C1 | C2 | 123.4° | 118.4° |
| F1 | C1 | C4 | 114.1° | 118.5° |
| C2 | C1 | C4 | 122.5° | 123.0° |
| C1 | C2 | N1 | 123.5° | 119.4° |
| C1 | C2 | C3 | 116.4° | 121.3° |
| C1 | C4 | C8 | 120.6° | 112.8° |
| C1 | C4 | H4 | 105.9° | 108.8° |
| C1 | C4 | H4A | 105.9° | 108.8° |
| C2 | N1 | C13 | 108.6° | 120.9° |
| C2 | N1 | C16 | 113.3° | 120.9° |
| N1 | C2 | C3 | 120.1° | 119.4° |
| C13 | N1 | C16 | 113.8° | 118.2° |
| N1 | C13 | C14 | 116.5° | 108.5° |
| N1 | C13 | H13 | 107.2° | 109.6° |
| N1 | C13 | H13A | 107.2° | 109.6° |
| N1 | C16 | C15 | 110.3° | 108.5° |
| N1 | C16 | H16 | 109.2° | 109.7° |
| N1 | C16 | H16A | 109.2° | 109.6° |
| C3 | O1 | C5 | 116.0° | 116.1° |
| O1 | C3 | C2 | 121.2° | 119.1° |
| O1 | C3 | C9 | 117.6° | 120.5° |
| O1 | C5 | C6 | 108.5° | 108.1° |
| O1 | C5 | H5 | 109.8° | 109.7° |
| O1 | C5 | H5A | 109.8° | 109.7° |
| C2 | C3 | C9 | 121.2° | 120.4° |
| C6 | N2 | C9 | 118.5° | 120.3° |
| C6 | N2 | C10 | 119.6° | 118.5° |
| N2 | C6 | C5 | 109.3° | 109.0° |
| N2 | C6 | C7 | 108.7° | 109.5° |
| N2 | C6 | H6 | 110.1° | 109.6° |
| C9 | N2 | C10 | 121.9° | 121.2° |
| N2 | C9 | C3 | 121.2° | 119.7° |
| N2 | C9 | C8 | 118.8° | 120.3° |
| N2 | C10 | C11 | 124.1° | 120.7° |
| N2 | C10 | H10 | 118.0° | 119.6° |
| O2 | C12 | C8 | 121.0° | 120.4° |
| O2 | C12 | C11 | 121.8° | 120.4° |
| C12 | O2 | HO2 | 109.5° | 114.0° |
| C3 | C9 | C8 | 120.0° | 120.1° |
| N4 | N3 | C14 | 108.1° | 111.0° |
| N4 | N3 | C15 | 107.0° | 111.1° |
| N3 | N4 | HN4 | 109.5° | 111.0° |
| N3 | N4 | HN4A | 109.5° | 111.0° |
| C14 | N3 | C15 | 111.5° | 111.4° |
| N3 | C14 | C13 | 111.8° | 109.3° |
| N3 | C14 | H14 | 108.7° | 109.5° |
| N3 | C14 | H14A | 108.7° | 109.5° |
| N3 | C15 | C16 | 110.0° | 109.3° |
| N3 | C15 | H15 | 109.3° | 109.5° |
| N3 | C15 | H15A | 109.3° | 109.5° |
| O3 | C17 | O4 | 121.0° | 120.0° |
| O3 | C17 | C11 | 117.7° | 120.0° |
| C4 | C8 | C9 | 119.2° | 122.5° |
| C4 | C8 | C12 | 120.1° | 118.2° |
| C8 | C4 | H4 | 105.9° | 108.8° |
| C8 | C4 | H4A | 105.9° | 108.8° |
| O4 | C17 | C11 | 121.3° | 120.0° |
| C5 | C6 | C7 | 109.6° | 109.5° |
| C6 | C5 | H5 | 109.8° | 109.7° |
| C6 | C5 | H5A | 109.8° | 109.7° |
| C5 | C6 | H6 | 109.3° | 109.6° |
| C7 | C6 | H6 | 109.8° | 109.6° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C6 | C7 | H7A | 109.5° | 109.4° |
| C6 | C7 | H7B | 109.5° | 109.5° |
| C9 | C8 | C12 | 120.7° | 119.3° |
| C8 | C12 | C11 | 117.2° | 119.3° |
| C10 | C11 | C12 | 117.3° | 119.2° |
| C10 | C11 | C17 | 122.4° | 120.4° |
| C11 | C10 | H10 | 117.9° | 119.7° |
| C12 | C11 | C17 | 120.3° | 120.4° |
| C14 | C13 | H13 | 107.2° | 109.6° |
| C14 | C13 | H13A | 107.2° | 109.6° |
| C13 | C14 | H14 | 108.7° | 109.5° |
| C13 | C14 | H14A | 108.7° | 109.5° |
| C16 | C15 | H15 | 109.3° | 109.4° |
| C16 | C15 | H15A | 109.3° | 109.6° |
| C15 | C16 | H16 | 109.2° | 109.6° |
| C15 | C16 | H16A | 109.2° | 109.6° |
| H4 | C4 | H4A | 112.8° | 108.7° |
| HN4 | N4 | HN4A | 109.5° | 111.0° |
| H5 | C5 | H5A | 109.1° | 109.8° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H7 | C7 | H7B | 109.5° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.5° |
| H13 | C13 | H13A | 111.7° | 109.8° |
| H14 | C14 | H14A | 110.3° | 109.5° |
| H15 | C15 | H15A | 109.7° | 109.5° |
| H16 | C16 | H16A | 109.7° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F1 | C1 | C2 | C4 | 179.4° | 179.7° |
| F1 | C1 | C2 | N1 | 0.3° | 0.0° |
| F1 | C1 | C2 | C3 | 178.9° | 180.0° |
| F1 | C1 | C4 | C8 | 179.5° | 180.0° |
| F1 | C1 | C4 | H4 | 60.5° | 59.2° |
| F1 | C1 | C4 | H4A | 59.5° | 59.1° |
| C1 | C2 | N1 | C3 | 178.6° | 180.0° |
| C1 | C2 | N1 | C13 | 116.8° | 55.8° |
| C1 | C2 | N1 | C16 | 10.6° | 124.6° |
| C1 | C2 | C3 | O1 | 179.8° | 179.6° |
| C1 | C2 | C3 | C9 | 0.7° | 0.4° |
| C2 | C1 | C4 | C8 | 0.0° | 0.3° |
| C2 | C1 | C4 | H4 | 120.0° | 120.6° |
| C2 | C1 | C4 | H4A | 120.0° | 121.1° |
| C4 | C1 | C2 | N1 | 179.1° | 179.7° |
| C4 | C1 | C2 | C3 | 0.5° | 0.3° |
| C1 | C4 | C8 | H4 | 120.0° | 120.8° |
| C1 | C4 | C8 | H4A | 120.0° | 120.8° |
| C1 | C4 | C8 | C9 | 0.4° | 0.4° |
| C1 | C4 | C8 | C12 | 179.9° | 179.6° |
| C1 | C4 | H4 | H4A | 115.4° | 118.3° |
| C2 | N1 | C13 | C16 | 127.1° | 179.7° |
| N1 | C2 | C3 | O1 | 1.2° | 0.4° |
| N1 | C2 | C3 | C9 | 179.3° | 179.6° |
| C2 | N1 | C13 | C14 | 167.7° | 128.9° |
| C2 | N1 | C16 | C15 | 174.2° | 128.9° |
| C2 | N1 | C13 | H13 | 72.3° | 9.1° |
| C2 | N1 | C13 | H13A | 47.7° | 111.4° |
| C2 | N1 | C16 | H16 | 54.2° | 111.4° |
| C2 | N1 | C16 | H16A | 65.8° | 9.2° |
| C13 | N1 | C2 | C3 | 61.7° | 124.3° |
| N1 | C13 | C14 | N3 | 40.5° | 53.8° |
| N1 | C13 | C14 | H13 | 120.0° | 119.7° |
| N1 | C13 | C14 | H13A | 120.0° | 119.7° |
| C13 | N1 | C16 | C15 | 49.6° | 51.4° |
| N1 | C13 | H13 | H13A | 117.1° | 120.5° |
| N1 | C13 | C14 | H14 | 160.5° | 173.8° |
| N1 | C13 | C14 | H14A | 79.5° | 66.2° |
| C13 | N1 | C16 | H16 | 70.4° | 68.3° |
| C13 | N1 | C16 | H16A | 169.6° | 171.1° |
| C16 | N1 | C2 | C3 | 170.9° | 55.4° |
| N1 | C16 | C15 | N3 | 61.0° | 53.8° |
| C16 | N1 | C13 | C14 | 40.6° | 51.4° |
| N1 | C16 | C15 | H16 | 120.0° | 119.7° |
| N1 | C16 | C15 | H16A | 120.0° | 119.7° |
| C16 | N1 | C13 | H13 | 160.6° | 171.2° |
| C16 | N1 | C13 | H13A | 79.3° | 68.3° |
| N1 | C16 | C15 | H15 | 59.0° | 66.1° |
| N1 | C16 | C15 | H15A | 179.0° | 173.8° |
| N1 | C16 | H16 | H16A | 119.7° | 120.5° |
| O1 | C3 | C2 | C9 | 179.5° | 180.0° |
| O1 | C3 | C9 | N2 | 0.7° | 0.6° |
| C3 | O1 | C5 | C6 | 59.5° | 55.5° |
| O1 | C3 | C9 | C8 | 179.9° | 179.0° |
| C3 | O1 | C5 | H5 | 179.5° | 175.2° |
| C3 | O1 | C5 | H5A | 60.5° | 64.1° |
| C5 | O1 | C3 | C2 | 148.9° | 151.3° |
| O1 | C5 | C6 | N2 | 56.0° | 53.4° |
| C5 | O1 | C3 | C9 | 30.6° | 28.7° |
| O1 | C5 | C6 | H5 | 120.0° | 119.6° |
| O1 | C5 | C6 | H5A | 120.0° | 119.7° |
| O1 | C5 | C6 | C7 | 63.0° | 66.5° |
| O1 | C5 | H5 | H5A | 120.4° | 120.7° |
| O1 | C5 | C6 | H6 | 176.6° | 173.3° |
| C2 | C3 | C9 | N2 | 179.7° | 179.3° |
| C2 | C3 | C9 | C8 | 0.4° | 1.0° |
| C6 | N2 | C9 | C10 | 179.9° | 180.0° |
| C6 | N2 | C9 | C3 | 0.1° | 1.3° |
| N2 | C6 | C5 | C7 | 119.0° | 119.8° |
| N2 | C6 | C5 | H6 | 120.6° | 119.9° |
| N2 | C6 | C7 | H6 | 120.6° | 120.2° |
| C6 | N2 | C9 | C8 | 179.5° | 179.1° |
| C6 | N2 | C10 | C11 | 179.5° | 179.7° |
| N2 | C6 | C5 | H5 | 176.0° | 173.0° |
| N2 | C6 | C5 | H5A | 64.0° | 66.3° |
| N2 | C6 | C7 | H7 | 180.0° | 60.0° |
| N2 | C6 | C7 | H7A | 60.0° | 180.0° |
| N2 | C6 | C7 | H7B | 60.0° | 60.0° |
| C6 | N2 | C10 | H10 | 0.5° | 0.7° |
| N2 | C9 | C3 | C8 | 179.4° | 179.6° |
| N2 | C9 | C8 | C4 | 179.2° | 179.3° |
| C9 | N2 | C6 | C5 | 28.3° | 28.7° |
| C9 | N2 | C6 | C7 | 91.2° | 91.2° |
| N2 | C9 | C8 | C12 | 0.3° | 0.7° |
| C9 | N2 | C10 | C11 | 0.4° | 0.3° |
| C9 | N2 | C6 | H6 | 148.4° | 148.6° |
| C9 | N2 | C10 | H10 | 179.5° | 179.3° |
| C10 | N2 | C9 | C3 | 179.8° | 178.7° |
| C10 | N2 | C6 | C5 | 151.7° | 151.3° |
| C10 | N2 | C6 | C7 | 88.7° | 88.8° |
| C10 | N2 | C9 | C8 | 0.4° | 0.9° |
| N2 | C10 | C11 | H10 | 180.0° | 179.6° |
| N2 | C10 | C11 | C12 | 0.3° | 0.3° |
| N2 | C10 | C11 | C17 | 179.7° | 180.0° |
| C10 | N2 | C6 | H6 | 31.7° | 31.4° |
| O2 | C12 | C8 | C4 | 1.2° | 0.1° |
| O2 | C12 | C8 | C9 | 179.3° | 179.9° |
| O2 | C12 | C8 | C11 | 179.5° | 179.9° |
| O2 | C12 | C11 | C10 | 179.3° | 179.6° |
| O2 | C12 | C11 | C17 | 0.1° | 0.0° |
| C3 | C9 | C8 | C4 | 0.1° | 1.0° |
| C3 | C9 | C8 | C12 | 179.7° | 178.9° |
| N4 | N3 | C14 | C15 | 117.3° | 124.4° |
| N4 | N3 | C14 | C13 | 168.5° | 172.7° |
| N4 | N3 | C15 | C16 | 179.5° | 172.8° |
| N3 | N4 | HN4 | HN4A | 120.0° | 123.9° |
| N4 | N3 | C14 | H14 | 71.5° | 52.8° |
| N4 | N3 | C14 | H14A | 48.5° | 67.3° |
| N4 | N3 | C15 | H15 | 60.6° | 67.3° |
| N4 | N3 | C15 | H15A | 59.5° | 52.8° |
| N3 | C14 | C13 | H14 | 120.0° | 119.9° |
| N3 | C14 | C13 | H14A | 120.0° | 120.0° |
| C14 | N3 | C15 | C16 | 62.5° | 62.9° |
| C14 | N3 | N4 | HN4 | 180.0° | 180.0° |
| C14 | N3 | N4 | HN4A | 60.0° | 56.1° |
| N3 | C14 | C13 | H13 | 160.5° | 173.6° |
| N3 | C14 | C13 | H13A | 79.5° | 65.9° |
| N3 | C14 | H14 | H14A | 119.0° | 120.1° |
| C14 | N3 | C15 | H15 | 57.5° | 57.0° |
| C14 | N3 | C15 | H15A | 177.5° | 177.1° |
| C15 | N3 | C14 | C13 | 51.2° | 62.9° |
| N3 | C15 | C16 | H15 | 120.0° | 119.9° |
| N3 | C15 | C16 | H15A | 120.0° | 120.0° |
| C15 | N3 | N4 | HN4 | 59.8° | 55.4° |
| C15 | N3 | N4 | HN4A | 60.2° | 68.5° |
| C15 | N3 | C14 | H14 | 171.2° | 177.2° |
| C15 | N3 | C14 | H14A | 68.8° | 57.1° |
| N3 | C15 | H15 | H15A | 119.8° | 120.1° |
| N3 | C15 | C16 | H16 | 59.0° | 66.0° |
| N3 | C15 | C16 | H16A | 179.0° | 173.4° |
| O3 | C17 | O4 | C11 | 179.8° | 180.0° |
| O3 | C17 | C11 | C10 | 19.5° | 5.8° |
| O3 | C17 | C11 | C12 | 159.9° | 174.6° |
| C4 | C8 | C9 | C12 | 179.5° | 179.9° |
| C4 | C8 | C12 | C11 | 179.4° | 180.0° |
| C8 | C4 | H4 | H4A | 115.4° | 118.4° |
| O4 | C17 | C11 | C10 | 160.8° | 174.2° |
| O4 | C17 | C11 | C12 | 19.9° | 5.4° |
| C5 | C6 | C7 | H6 | 120.0° | 120.2° |
| C6 | C5 | H5 | H5A | 120.4° | 120.7° |
| C5 | C6 | C7 | H7 | 60.6° | 59.6° |
| C5 | C6 | C7 | H7A | 179.4° | 60.4° |
| C5 | C6 | C7 | H7B | 59.4° | 179.6° |
| C7 | C6 | C5 | H5 | 57.0° | 53.2° |
| C7 | C6 | C5 | H5A | 177.0° | 173.9° |
| C6 | C7 | H7 | H7A | 120.0° | 119.9° |
| C6 | C7 | H7 | H7B | 120.0° | 120.0° |
| C6 | C7 | H7A | H7B | 120.0° | 120.0° |
| C9 | C8 | C12 | C11 | 0.2° | 0.1° |
| C9 | C8 | C4 | H4 | 120.4° | 121.2° |
| C9 | C8 | C4 | H4A | 119.6° | 120.5° |
| C8 | C12 | C11 | C10 | 0.1° | 0.5° |
| C8 | C12 | C11 | C17 | 179.6° | 179.9° |
| C8 | C12 | O2 | HO2 | 172.7° | 174.2° |
| C12 | C8 | C4 | H4 | 60.1° | 58.7° |
| C12 | C8 | C4 | H4A | 59.9° | 59.6° |
| C10 | C11 | C12 | C17 | 179.4° | 179.6° |
| C11 | C12 | O2 | HO2 | 7.8° | 5.7° |
| C12 | C11 | C10 | H10 | 179.7° | 180.0° |
| C17 | C11 | C10 | H10 | 0.3° | 0.4° |
| C14 | C13 | H13 | H13A | 117.1° | 120.5° |
| C13 | C14 | H14 | H14A | 119.1° | 120.1° |
| C16 | C15 | H15 | H15A | 119.8° | 120.2° |
| C15 | C16 | H16 | H16A | 119.7° | 120.4° |
| H5 | C5 | C6 | H6 | 63.4° | 67.1° |
| H5A | C5 | C6 | H6 | 56.6° | 53.6° |
| H6 | C6 | C7 | H7 | 59.4° | 179.8° |
| H6 | C6 | C7 | H7A | 60.6° | 59.8° |
| H6 | C6 | C7 | H7B | 179.4° | 60.2° |
| H7 | C7 | H7A | H7B | 120.0° | 120.0° |
| H13 | C13 | C14 | H14 | 79.5° | 66.5° |
| H13 | C13 | C14 | H14A | 40.5° | 53.6° |
| H13A | C13 | C14 | H14 | 40.5° | 54.0° |
| H13A | C13 | C14 | H14A | 160.5° | 174.1° |
| H15 | C15 | C16 | H16 | 179.0° | 174.1° |
| H15 | C15 | C16 | H16A | 61.0° | 53.5° |
| H15A | C15 | C16 | H16 | 61.0° | 54.0° |
| H15A | C15 | C16 | H16A | 59.0° | 66.6° |
