WF3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C1 | sing | 1.45Å | 1.45Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C1 | H1B | sing | 1.09Å | 1.10Å | |
| O2 | C3 | sing | 1.35Å | 1.37Å | |
| C5 | C3 | sing | 1.47Å | 1.52Å | |
| C3 | O4 | doub | 1.22Å | 1.22Å | |
| C6 | C5 | doub | 1.36Å | 1.54Å | |
| C9 | C5 | sing | 1.48Å | 1.42Å | |
| O7 | C6 | sing | 1.35Å | 1.35Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | O7 | sing | 1.45Å | 1.43Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C14 | C9 | doub | 1.39Å | 1.47Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.44Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.43Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | C11 | sing | 1.38Å | 1.43Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | C12 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.38Å | 1.45Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | C14 | sing | 1.51Å | 1.40Å | |
| C15 | O16 | sing | 1.43Å | 1.44Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | O16 | sing | 1.36Å | 1.37Å | |
| N31 | C17 | doub | 1.32Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.44Å | Aromatic |
| N23 | C18 | doub | 1.31Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.55Å | |
| F22 | C19 | sing | 1.40Å | 1.33Å | |
| F21 | C19 | sing | 1.40Å | 1.32Å | |
| C19 | F20 | sing | 1.40Å | 1.33Å | |
| C24 | N23 | sing | 1.34Å | 1.36Å | Aromatic |
| C25 | C24 | doub | 1.40Å | 1.42Å | Aromatic |
| C24 | C30 | sing | 1.42Å | 1.45Å | Aromatic |
| C26 | C25 | sing | 1.36Å | 1.43Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | C26 | sing | 1.51Å | 1.53Å | |
| C26 | C28 | doub | 1.39Å | 1.44Å | Aromatic |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.36Å | 1.43Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | doub | 1.40Å | 1.43Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | N31 | sing | 1.34Å | 1.37Å | Aromatic |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C1 | H1 | 109.5° | 109.4° |
| O2 | C1 | H1A | 109.5° | 109.5° |
| O2 | C1 | H1B | 109.5° | 109.5° |
| C1 | O2 | C3 | 122.7° | 117.0° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H1 | C1 | H1B | 109.5° | 109.4° |
| H1A | C1 | H1B | 109.5° | 109.5° |
| O2 | C3 | C5 | 125.6° | 120.0° |
| O2 | C3 | O4 | 116.7° | 120.0° |
| C5 | C3 | O4 | 117.7° | 120.0° |
| C3 | C5 | C6 | 118.6° | 120.0° |
| C3 | C5 | C9 | 121.0° | 120.0° |
| C6 | C5 | C9 | 120.3° | 120.0° |
| C5 | C6 | O7 | 121.2° | 120.0° |
| C5 | C6 | H6 | 119.4° | 120.0° |
| C5 | C9 | C14 | 125.1° | 120.1° |
| C5 | C9 | C10 | 115.5° | 120.1° |
| O7 | C6 | H6 | 119.4° | 120.0° |
| C6 | O7 | C8 | 108.6° | 117.0° |
| O7 | C8 | H8 | 109.5° | 109.5° |
| O7 | C8 | H8A | 109.5° | 109.5° |
| O7 | C8 | H8B | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.4° | 109.4° |
| H8 | C8 | H8B | 109.5° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| C14 | C9 | C10 | 119.4° | 119.8° |
| C9 | C14 | C13 | 118.5° | 119.9° |
| C9 | C14 | C15 | 121.4° | 120.1° |
| C9 | C10 | C11 | 120.4° | 119.9° |
| C9 | C10 | H10 | 119.8° | 120.1° |
| C11 | C10 | H10 | 119.8° | 120.1° |
| C10 | C11 | C12 | 120.5° | 120.1° |
| C10 | C11 | H11 | 119.8° | 119.9° |
| C12 | C11 | H11 | 119.8° | 120.0° |
| C11 | C12 | C13 | 120.1° | 120.3° |
| C11 | C12 | H12 | 120.0° | 119.8° |
| C13 | C12 | H12 | 119.9° | 119.9° |
| C12 | C13 | C14 | 121.1° | 120.1° |
| C12 | C13 | H13 | 119.5° | 119.9° |
| C14 | C13 | H13 | 119.4° | 120.0° |
| C13 | C14 | C15 | 120.0° | 120.1° |
| C14 | C15 | O16 | 115.3° | 109.5° |
| C14 | C15 | H15 | 107.6° | 109.5° |
| C14 | C15 | H15A | 107.6° | 109.4° |
| O16 | C15 | H15 | 107.6° | 109.5° |
| O16 | C15 | H15A | 107.6° | 109.4° |
| C15 | O16 | C17 | 119.4° | 117.0° |
| H15 | C15 | H15A | 111.3° | 109.5° |
| O16 | C17 | N31 | 123.2° | 119.7° |
| O16 | C17 | C18 | 118.1° | 119.8° |
| N31 | C17 | C18 | 118.7° | 120.5° |
| C17 | N31 | C30 | 122.8° | 119.7° |
| C17 | C18 | N23 | 118.4° | 120.6° |
| C17 | C18 | C19 | 122.0° | 119.7° |
| N23 | C18 | C19 | 119.6° | 119.7° |
| C18 | N23 | C24 | 122.8° | 119.9° |
| C18 | C19 | F22 | 110.9° | 109.4° |
| C18 | C19 | F21 | 109.8° | 109.4° |
| C18 | C19 | F20 | 110.1° | 109.5° |
| F22 | C19 | F21 | 108.2° | 109.5° |
| F22 | C19 | F20 | 109.2° | 109.5° |
| F21 | C19 | F20 | 108.6° | 109.5° |
| N23 | C24 | C25 | 120.4° | 121.0° |
| N23 | C24 | C30 | 119.0° | 119.6° |
| C25 | C24 | C30 | 120.7° | 119.4° |
| C24 | C25 | C26 | 118.3° | 119.7° |
| C24 | C25 | H25 | 120.8° | 120.1° |
| C24 | C30 | C29 | 121.0° | 119.3° |
| C24 | C30 | N31 | 118.4° | 119.7° |
| C26 | C25 | H25 | 120.8° | 120.1° |
| C25 | C26 | C27 | 119.3° | 119.5° |
| C25 | C26 | C28 | 121.3° | 120.9° |
| C27 | C26 | C28 | 119.4° | 119.6° |
| C26 | C27 | H27 | 109.5° | 109.5° |
| C26 | C27 | H27A | 109.4° | 109.4° |
| C26 | C27 | H27B | 109.5° | 109.4° |
| C26 | C28 | C29 | 120.5° | 121.0° |
| C26 | C28 | H28 | 119.7° | 119.5° |
| H27 | C27 | H27A | 109.5° | 109.5° |
| H27 | C27 | H27B | 109.5° | 109.5° |
| H27A | C27 | H27B | 109.5° | 109.5° |
| C29 | C28 | H28 | 119.8° | 119.5° |
| C28 | C29 | C30 | 118.2° | 119.7° |
| C28 | C29 | H29 | 120.9° | 120.1° |
| C30 | C29 | H29 | 120.9° | 120.2° |
| C29 | C30 | N31 | 120.6° | 121.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C1 | H1 | H1A | 120.0° | 120.0° |
| O2 | C1 | H1 | H1B | 120.0° | 119.9° |
| O2 | C1 | H1A | H1B | 120.0° | 120.0° |
| C1 | O2 | C3 | C5 | 157.8° | 180.0° |
| C1 | O2 | C3 | O4 | 21.3° | 0.0° |
| H1 | C1 | H1A | H1B | 120.0° | 120.0° |
| H1 | C1 | O2 | C3 | 180.0° | 60.0° |
| H1A | C1 | O2 | C3 | 60.0° | 180.0° |
| H1B | C1 | O2 | C3 | 60.0° | 59.9° |
| O2 | C3 | C5 | O4 | 179.1° | 179.9° |
| O2 | C3 | C5 | C6 | 26.0° | 180.0° |
| O2 | C3 | C5 | C9 | 156.8° | 0.0° |
| C3 | C5 | C6 | C9 | 177.2° | 179.9° |
| C3 | C5 | C6 | O7 | 168.4° | 180.0° |
| C3 | C5 | C6 | H6 | 11.6° | 0.1° |
| C3 | C5 | C9 | C14 | 90.1° | 104.8° |
| C3 | C5 | C9 | C10 | 90.2° | 74.9° |
| O4 | C3 | C5 | C6 | 153.1° | 0.1° |
| O4 | C3 | C5 | C9 | 24.1° | 180.0° |
| C5 | C6 | O7 | H6 | 180.0° | 179.9° |
| C5 | C6 | O7 | C8 | 179.4° | 180.0° |
| C6 | C5 | C9 | C14 | 92.7° | 75.3° |
| C6 | C5 | C9 | C10 | 87.0° | 105.0° |
| C9 | C5 | C6 | O7 | 14.3° | 0.1° |
| C9 | C5 | C6 | H6 | 165.7° | 180.0° |
| C5 | C9 | C14 | C10 | 179.7° | 179.7° |
| C5 | C9 | C10 | C11 | 179.6° | 180.0° |
| C5 | C9 | C10 | H10 | 0.4° | 0.1° |
| C5 | C9 | C14 | C13 | 179.5° | 179.8° |
| C5 | C9 | C14 | C15 | 0.5° | 0.2° |
| C6 | O7 | C8 | H8 | 180.0° | 60.0° |
| C6 | O7 | C8 | H8A | 60.0° | 59.9° |
| C6 | O7 | C8 | H8B | 60.0° | 179.9° |
| H6 | C6 | O7 | C8 | 0.6° | 0.1° |
| O7 | C8 | H8 | H8A | 120.0° | 120.0° |
| O7 | C8 | H8 | H8B | 120.0° | 120.0° |
| O7 | C8 | H8A | H8B | 120.0° | 120.0° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
| C14 | C9 | C10 | C11 | 0.2° | 0.3° |
| C14 | C9 | C10 | H10 | 179.8° | 179.8° |
| C9 | C14 | C13 | C12 | 0.0° | 0.5° |
| C9 | C14 | C13 | C15 | 179.9° | 179.5° |
| C9 | C14 | C13 | H13 | 180.0° | 179.7° |
| C9 | C14 | C15 | O16 | 143.5° | 179.5° |
| C9 | C14 | C15 | H15 | 23.5° | 60.5° |
| C9 | C14 | C15 | H15A | 96.5° | 59.5° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.0° | 0.1° |
| C9 | C10 | C11 | H11 | 179.9° | 180.0° |
| C10 | C9 | C14 | C13 | 0.2° | 0.5° |
| C10 | C9 | C14 | C15 | 179.7° | 179.9° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.2° | 0.0° |
| C10 | C11 | C12 | H12 | 179.8° | 179.9° |
| H10 | C10 | C11 | C12 | 180.0° | 179.9° |
| H10 | C10 | C11 | H11 | 0.0° | 0.1° |
| C11 | C12 | C13 | H12 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 0.2° | 0.2° |
| C11 | C12 | C13 | H13 | 179.8° | 179.9° |
| H11 | C11 | C12 | C13 | 179.7° | 180.0° |
| H11 | C11 | C12 | H12 | 0.3° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.8° |
| C12 | C13 | C14 | C15 | 179.9° | 180.0° |
| H12 | C12 | C13 | C14 | 179.8° | 179.7° |
| H12 | C12 | C13 | H13 | 0.2° | 0.1° |
| C13 | C14 | C15 | O16 | 36.5° | 0.1° |
| C13 | C14 | C15 | H15 | 156.5° | 120.0° |
| C13 | C14 | C15 | H15A | 83.6° | 120.0° |
| H13 | C13 | C14 | C15 | 0.1° | 0.1° |
| C14 | C15 | O16 | H15 | 120.0° | 120.0° |
| C14 | C15 | O16 | H15A | 120.0° | 119.9° |
| C14 | C15 | H15 | H15A | 117.6° | 120.0° |
| C14 | C15 | O16 | C17 | 179.7° | 180.0° |
| O16 | C15 | H15 | H15A | 117.6° | 120.0° |
| C15 | O16 | C17 | N31 | 12.6° | 0.2° |
| C15 | O16 | C17 | C18 | 167.5° | 180.0° |
| H15 | C15 | O16 | C17 | 59.7° | 60.0° |
| H15A | C15 | O16 | C17 | 60.3° | 60.1° |
| O16 | C17 | N31 | C18 | 179.9° | 179.8° |
| O16 | C17 | C18 | N23 | 179.8° | 180.0° |
| O16 | C17 | C18 | C19 | 0.1° | 0.1° |
| O16 | C17 | N31 | C30 | 179.9° | 179.7° |
| N31 | C17 | C18 | N23 | 0.2° | 0.2° |
| N31 | C17 | C18 | C19 | 180.0° | 179.7° |
| C17 | N31 | C30 | C24 | 0.1° | 0.6° |
| C17 | N31 | C30 | C29 | 179.9° | 179.7° |
| C17 | C18 | N23 | C19 | 179.8° | 179.9° |
| C17 | C18 | C19 | F22 | 66.8° | 30.1° |
| C17 | C18 | C19 | F21 | 173.6° | 150.0° |
| C17 | C18 | C19 | F20 | 54.1° | 90.0° |
| C17 | C18 | N23 | C24 | 0.1° | 0.0° |
| C18 | C17 | N31 | C30 | 0.0° | 0.6° |
| N23 | C18 | C19 | F22 | 113.4° | 150.0° |
| N23 | C18 | C19 | F21 | 6.2° | 30.1° |
| N23 | C18 | C19 | F20 | 125.7° | 89.9° |
| C18 | N23 | C24 | C25 | 179.9° | 180.0° |
| C18 | N23 | C24 | C30 | 0.0° | 0.0° |
| C18 | C19 | F22 | F21 | 120.5° | 119.9° |
| C18 | C19 | F22 | F20 | 121.5° | 120.0° |
| C18 | C19 | F21 | F20 | 120.4° | 120.0° |
| C19 | C18 | N23 | C24 | 180.0° | 179.9° |
| F22 | C19 | F21 | F20 | 118.4° | 120.1° |
| N23 | C24 | C25 | C30 | 179.9° | 180.0° |
| N23 | C24 | C25 | C26 | 179.9° | 180.0° |
| N23 | C24 | C25 | H25 | 0.1° | 0.1° |
| N23 | C24 | C30 | C29 | 180.0° | 180.0° |
| N23 | C24 | C30 | N31 | 0.1° | 0.3° |
| C24 | C25 | C26 | H25 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 179.8° | 180.0° |
| C24 | C25 | C26 | C28 | 0.1° | 0.1° |
| C25 | C24 | C30 | C29 | 0.1° | 0.0° |
| C25 | C24 | C30 | N31 | 179.8° | 179.7° |
| C30 | C24 | C25 | C26 | 0.0° | 0.0° |
| C30 | C24 | C25 | H25 | 180.0° | 179.9° |
| C24 | C30 | C29 | C28 | 0.1° | 0.0° |
| C24 | C30 | C29 | N31 | 179.8° | 179.7° |
| C24 | C30 | C29 | H29 | 179.9° | 180.0° |
| C25 | C26 | C27 | C28 | 179.9° | 179.9° |
| C25 | C26 | C27 | H27 | 90.0° | 90.0° |
| C25 | C26 | C27 | H27A | 150.1° | 150.0° |
| C25 | C26 | C27 | H27B | 30.1° | 30.1° |
| C25 | C26 | C28 | C29 | 0.0° | 0.1° |
| C25 | C26 | C28 | H28 | 180.0° | 180.0° |
| H25 | C25 | C26 | C27 | 0.2° | 0.1° |
| H25 | C25 | C26 | C28 | 179.9° | 180.0° |
| C26 | C27 | H27 | H27A | 120.0° | 119.9° |
| C26 | C27 | H27 | H27B | 120.0° | 120.0° |
| C26 | C27 | H27A | H27B | 120.0° | 119.9° |
| C27 | C26 | C28 | C29 | 179.9° | 180.0° |
| C27 | C26 | C28 | H28 | 0.1° | 0.1° |
| C28 | C26 | C27 | H27 | 89.9° | 89.9° |
| C28 | C26 | C27 | H27A | 30.0° | 30.1° |
| C28 | C26 | C27 | H27B | 150.0° | 150.0° |
| C26 | C28 | C29 | H28 | 180.0° | 179.9° |
| C26 | C28 | C29 | C30 | 0.1° | 0.1° |
| C26 | C28 | C29 | H29 | 180.0° | 180.0° |
| H27 | C27 | H27A | H27B | 120.0° | 120.1° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | N31 | 179.7° | 179.6° |
| H28 | C28 | C29 | C30 | 179.9° | 180.0° |
| H28 | C28 | C29 | H29 | 0.0° | 0.1° |
| H29 | C29 | C30 | N31 | 0.3° | 0.3° |
