WF6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.37Å | 1.36Å | Aromatic |
| N1 | C3 | sing | 1.37Å | 1.38Å | Aromatic |
| C2 | N4 | doub | 1.31Å | 1.33Å | Aromatic |
| C3 | N5 | doub | 1.30Å | 1.35Å | Aromatic |
| N4 | N5 | sing | 1.28Å | 1.43Å | Aromatic |
| C3 | C6 | sing | 1.51Å | 1.52Å | |
| C6 | O7 | sing | 1.43Å | 1.37Å | |
| N1 | C8 | sing | 1.46Å | 1.50Å | |
| C2 | S9 | sing | 1.76Å | 1.69Å | |
| O7 | C10 | sing | 1.36Å | 1.39Å | |
| C10 | C11 | doub | 1.39Å | 1.42Å | Aromatic |
| C10 | C13 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C15 | sing | 1.53Å | 1.54Å | |
| C8 | C16 | sing | 1.53Å | 1.55Å | |
| C14 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C18 | doub | 1.38Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | H23 | sing | 1.08Å | 1.08Å | |
| C15 | H25 | sing | 1.09Å | 1.10Å | |
| C15 | H27 | sing | 1.09Å | 1.10Å | |
| C15 | H26 | sing | 1.09Å | 1.10Å | |
| C16 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.08Å | 1.08Å | |
| C18 | H32 | sing | 1.08Å | 1.08Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C8 | H21 | sing | 1.09Å | 1.10Å | |
| S9 | H22 | sing | 1.41Å | 1.30Å | |
| C14 | H24 | sing | 1.08Å | 1.08Å | |
| CL12 | C11 | sing | 1.74Å | 1.69Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C3 | 109.7° | 105.7° |
| N1 | C2 | N4 | 107.2° | 107.0° |
| C2 | N1 | C8 | 123.2° | 127.1° |
| N1 | C2 | S9 | 126.1° | 126.5° |
| N1 | C3 | N5 | 107.7° | 107.3° |
| N1 | C3 | C6 | 125.2° | 126.3° |
| C3 | N1 | C8 | 127.1° | 127.1° |
| C2 | N4 | N5 | 108.9° | 109.9° |
| N4 | C2 | S9 | 126.6° | 126.5° |
| C3 | N5 | N4 | 106.4° | 110.1° |
| N5 | C3 | C6 | 126.9° | 126.4° |
| C3 | C6 | O7 | 114.3° | 109.4° |
| C3 | C6 | H19 | 108.2° | 109.5° |
| C3 | C6 | H20 | 108.2° | 109.5° |
| C6 | O7 | C10 | 119.6° | 117.0° |
| O7 | C6 | H19 | 108.3° | 109.5° |
| O7 | C6 | H20 | 108.3° | 109.5° |
| N1 | C8 | C15 | 110.3° | 109.5° |
| N1 | C8 | C16 | 112.1° | 109.5° |
| N1 | C8 | H21 | 108.2° | 109.5° |
| C2 | S9 | H22 | 102.0° | 100.0° |
| O7 | C10 | C11 | 114.9° | 120.1° |
| O7 | C10 | C13 | 122.7° | 120.0° |
| C11 | C10 | C13 | 122.4° | 119.9° |
| C10 | C11 | C14 | 119.2° | 120.0° |
| C10 | C11 | CL12 | 121.9° | 120.0° |
| C10 | C13 | C18 | 116.5° | 119.9° |
| C10 | C13 | H23 | 121.7° | 120.0° |
| C11 | C14 | C17 | 118.1° | 120.0° |
| C11 | C14 | H24 | 120.9° | 120.0° |
| C14 | C11 | CL12 | 118.4° | 120.0° |
| C15 | C8 | C16 | 110.9° | 109.5° |
| C8 | C15 | H25 | 109.5° | 109.5° |
| C8 | C15 | H27 | 109.5° | 109.5° |
| C8 | C15 | H26 | 109.5° | 109.4° |
| C15 | C8 | H21 | 107.6° | 109.5° |
| C8 | C16 | H28 | 109.5° | 109.5° |
| C8 | C16 | H30 | 109.5° | 109.5° |
| C8 | C16 | H29 | 109.5° | 109.5° |
| C16 | C8 | H21 | 107.5° | 109.5° |
| C14 | C17 | C18 | 120.8° | 120.2° |
| C14 | C17 | H31 | 119.6° | 119.9° |
| C17 | C14 | H24 | 120.9° | 120.0° |
| C13 | C18 | C17 | 122.6° | 120.0° |
| C18 | C13 | H23 | 121.8° | 120.0° |
| C13 | C18 | H32 | 118.7° | 120.0° |
| C18 | C17 | H31 | 119.6° | 119.9° |
| C17 | C18 | H32 | 118.7° | 119.9° |
| H25 | C15 | H27 | 109.5° | 109.5° |
| H25 | C15 | H26 | 109.5° | 109.5° |
| H27 | C15 | H26 | 109.4° | 109.5° |
| H28 | C16 | H30 | 109.5° | 109.5° |
| H28 | C16 | H29 | 109.5° | 109.4° |
| H30 | C16 | H29 | 109.5° | 109.4° |
| H19 | C6 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C3 | C8 | 179.1° | 179.8° |
| N1 | C2 | N4 | S9 | 178.0° | 180.0° |
| C2 | N1 | C3 | N5 | 0.8° | 0.0° |
| N1 | C2 | N4 | N5 | 2.3° | 0.0° |
| C2 | N1 | C3 | C6 | 175.0° | 180.0° |
| C2 | N1 | C8 | C15 | 105.8° | 60.0° |
| C2 | N1 | C8 | C16 | 130.1° | 60.0° |
| C2 | N1 | C8 | H21 | 11.7° | 180.0° |
| N1 | C2 | S9 | H22 | 177.6° | 90.0° |
| C3 | N1 | C2 | N4 | 2.0° | 0.0° |
| N1 | C3 | N5 | C6 | 175.8° | 179.9° |
| N1 | C3 | N5 | N4 | 0.6° | 0.1° |
| N1 | C3 | C6 | O7 | 89.3° | 90.0° |
| C3 | N1 | C2 | S9 | 180.0° | 179.9° |
| C3 | N1 | C8 | C15 | 75.3° | 119.8° |
| C3 | N1 | C8 | C16 | 48.9° | 120.2° |
| N1 | C3 | C6 | H19 | 31.4° | 150.0° |
| N1 | C3 | C6 | H20 | 150.0° | 30.0° |
| C3 | N1 | C8 | H21 | 167.3° | 0.2° |
| C2 | N4 | N5 | C3 | 1.8° | 0.1° |
| N4 | C2 | N1 | C8 | 177.1° | 179.8° |
| N4 | C2 | S9 | H22 | 0.0° | 90.1° |
| N5 | C3 | C6 | O7 | 95.6° | 90.1° |
| N5 | C3 | N1 | C8 | 178.2° | 179.8° |
| N5 | C3 | C6 | H19 | 143.7° | 29.9° |
| N5 | C3 | C6 | H20 | 25.1° | 149.9° |
| N4 | N5 | C3 | C6 | 176.4° | 180.0° |
| N5 | N4 | C2 | S9 | 179.7° | 180.0° |
| C3 | C6 | O7 | H19 | 120.7° | 120.0° |
| C3 | C6 | O7 | H20 | 120.7° | 120.0° |
| C6 | C3 | N1 | C8 | 5.9° | 0.2° |
| C3 | C6 | O7 | C10 | 89.1° | 180.0° |
| C3 | C6 | H19 | H20 | 117.8° | 120.0° |
| C6 | O7 | C10 | C11 | 168.1° | 180.0° |
| C6 | O7 | C10 | C13 | 12.4° | 0.3° |
| O7 | C6 | H19 | H20 | 117.8° | 120.0° |
| C8 | N1 | C2 | S9 | 0.9° | 0.2° |
| N1 | C8 | C15 | C16 | 124.8° | 120.0° |
| N1 | C8 | C15 | H21 | 117.8° | 120.0° |
| N1 | C8 | C16 | H21 | 118.8° | 120.0° |
| N1 | C8 | C15 | H25 | 180.0° | 60.0° |
| N1 | C8 | C15 | H27 | 60.0° | 180.0° |
| N1 | C8 | C15 | H26 | 60.0° | 60.0° |
| N1 | C8 | C16 | H28 | 180.0° | 60.0° |
| N1 | C8 | C16 | H30 | 60.0° | 179.9° |
| N1 | C8 | C16 | H29 | 60.0° | 60.0° |
| O7 | C10 | C11 | C13 | 179.5° | 179.7° |
| O7 | C10 | C11 | C14 | 176.8° | 179.7° |
| O7 | C10 | C13 | C18 | 178.9° | 179.7° |
| O7 | C10 | C13 | H23 | 1.2° | 0.3° |
| C10 | O7 | C6 | H19 | 150.2° | 60.0° |
| C10 | O7 | C6 | H20 | 31.6° | 60.0° |
| O7 | C10 | C11 | CL12 | 5.4° | 0.3° |
| C10 | C11 | C14 | CL12 | 171.7° | 179.9° |
| C10 | C11 | C14 | C17 | 6.8° | 0.1° |
| C11 | C10 | C13 | C18 | 1.7° | 0.0° |
| C11 | C10 | C13 | H23 | 178.3° | 180.0° |
| C10 | C11 | C14 | H24 | 173.2° | 180.0° |
| C13 | C10 | C11 | C14 | 2.6° | 0.0° |
| C10 | C13 | C18 | H23 | 180.0° | 180.0° |
| C10 | C13 | C18 | C17 | 1.7° | 0.0° |
| C10 | C13 | C18 | H32 | 178.3° | 180.0° |
| C13 | C10 | C11 | CL12 | 174.0° | 180.0° |
| C11 | C14 | C17 | H24 | 180.0° | 179.9° |
| C11 | C14 | C17 | C18 | 6.9° | 0.1° |
| C11 | C14 | C17 | H31 | 173.1° | 180.0° |
| C15 | C8 | C16 | H21 | 117.4° | 120.0° |
| C8 | C15 | H25 | H27 | 120.0° | 120.1° |
| C8 | C15 | H25 | H26 | 120.0° | 119.9° |
| C8 | C15 | H27 | H26 | 120.0° | 119.9° |
| C15 | C8 | C16 | H28 | 56.2° | 180.0° |
| C15 | C8 | C16 | H30 | 63.8° | 60.0° |
| C15 | C8 | C16 | H29 | 176.2° | 60.0° |
| C16 | C8 | C15 | H25 | 55.2° | 60.0° |
| C16 | C8 | C15 | H27 | 175.2° | 60.1° |
| C16 | C8 | C15 | H26 | 64.9° | 180.0° |
| C8 | C16 | H28 | H30 | 120.0° | 120.1° |
| C8 | C16 | H28 | H29 | 120.0° | 120.0° |
| C8 | C16 | H30 | H29 | 120.0° | 120.0° |
| C14 | C17 | C18 | C13 | 2.6° | 0.0° |
| C14 | C17 | C18 | H31 | 180.0° | 179.9° |
| C14 | C17 | C18 | H32 | 177.4° | 180.0° |
| C17 | C14 | C11 | CL12 | 178.5° | 180.0° |
| C13 | C18 | C17 | H32 | 180.0° | 179.9° |
| C13 | C18 | C17 | H31 | 177.4° | 179.9° |
| C17 | C18 | C13 | H23 | 178.2° | 180.0° |
| C18 | C17 | C14 | H24 | 173.1° | 180.0° |
| H23 | C13 | C18 | H32 | 1.7° | 0.0° |
| H25 | C15 | H27 | H26 | 120.0° | 120.0° |
| H25 | C15 | C8 | H21 | 62.2° | NaN° |
| H27 | C15 | C8 | H21 | 57.8° | 59.9° |
| H26 | C15 | C8 | H21 | 177.8° | 60.0° |
| H28 | C16 | H30 | H29 | 120.0° | 119.9° |
| H28 | C16 | C8 | H21 | 61.2° | 60.0° |
| H30 | C16 | C8 | H21 | 178.8° | 60.0° |
| H29 | C16 | C8 | H21 | 58.8° | 180.0° |
| H31 | C17 | C18 | H32 | 2.6° | 0.1° |
| H31 | C17 | C14 | H24 | 6.9° | 0.1° |
| H24 | C14 | C11 | CL12 | 1.5° | 0.1° |
