5F5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C7 | doub | 1.22Å | 1.22Å | |
| C7 | O1 | sing | 1.35Å | 1.31Å | |
| C7 | C5 | sing | 1.48Å | 1.49Å | |
| C4 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| N | C9 | sing | 1.31Å | 1.38Å | Aromatic |
| N | C | doub | 1.30Å | 1.31Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.39Å | Aromatic |
| C1 | C | sing | 1.48Å | 1.47Å | |
| C9 | C8 | doub | 1.34Å | 1.34Å | Aromatic |
| C | S | sing | 1.76Å | 1.73Å | Aromatic |
| C8 | S | sing | 1.76Å | 1.71Å | Aromatic |
| C2 | H | sing | 1.08Å | 1.08Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| O1 | H4 | sing | 0.97Å | 0.95Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C7 | O1 | 123.5° | 120.0° |
| O | C7 | C5 | 121.6° | 120.0° |
| O1 | C7 | C5 | 114.9° | 120.0° |
| C7 | O1 | H4 | 109.5° | 117.0° |
| C7 | C5 | C4 | 120.6° | 120.1° |
| C7 | C5 | C6 | 120.0° | 120.1° |
| C5 | C4 | C3 | 120.3° | 120.1° |
| C4 | C5 | C6 | 119.4° | 119.8° |
| C5 | C4 | H2 | 119.8° | 119.9° |
| C4 | C3 | C2 | 120.2° | 120.3° |
| C4 | C3 | H1 | 119.9° | 119.9° |
| C3 | C4 | H2 | 119.9° | 119.9° |
| C5 | C6 | C1 | 120.4° | 119.7° |
| C5 | C6 | H3 | 119.8° | 120.1° |
| C3 | C2 | C1 | 120.3° | 120.1° |
| C3 | C2 | H | 119.9° | 119.9° |
| C2 | C3 | H1 | 119.9° | 119.8° |
| C9 | N | C | 109.9° | 117.1° |
| N | C9 | C8 | 116.3° | 115.9° |
| N | C9 | H6 | 121.9° | 122.1° |
| N | C | C1 | 123.2° | 125.5° |
| N | C | S | 114.5° | 109.0° |
| C6 | C1 | C2 | 119.4° | 119.9° |
| C6 | C1 | C | 119.9° | 120.0° |
| C1 | C6 | H3 | 119.8° | 120.2° |
| C2 | C1 | C | 120.7° | 120.1° |
| C1 | C2 | H | 119.8° | 119.9° |
| C1 | C | S | 122.3° | 125.5° |
| C9 | C8 | S | 110.2° | 108.2° |
| C9 | C8 | H5 | 124.9° | 125.9° |
| C8 | C9 | H6 | 121.9° | 122.1° |
| C | S | C8 | 89.2° | 89.8° |
| S | C8 | H5 | 124.9° | 125.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C7 | O1 | C5 | 179.9° | 180.0° |
| O | C7 | C5 | C4 | 0.2° | 180.0° |
| O | C7 | C5 | C6 | 179.7° | 0.2° |
| O | C7 | O1 | H4 | 0.0° | 0.1° |
| O1 | C7 | C5 | C4 | 179.9° | 0.0° |
| O1 | C7 | C5 | C6 | 0.2° | 179.8° |
| C7 | C5 | C4 | C6 | 179.9° | 179.8° |
| C7 | C5 | C4 | C3 | 179.7° | 180.0° |
| C7 | C5 | C6 | C1 | 179.9° | 179.7° |
| C7 | C5 | C4 | H2 | 0.2° | 0.2° |
| C7 | C5 | C6 | H3 | 0.1° | 0.2° |
| C5 | C7 | O1 | H4 | 179.9° | 180.0° |
| C5 | C4 | C3 | H2 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 0.1° | 0.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.5° |
| C5 | C4 | C3 | H1 | 179.9° | 180.0° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.2° |
| C4 | C3 | C2 | H1 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C4 | C3 | C2 | H | 179.9° | 180.0° |
| C5 | C6 | C1 | H3 | 180.0° | 179.5° |
| C5 | C6 | C1 | C2 | 0.1° | 0.5° |
| C5 | C6 | C1 | C | 179.4° | 179.8° |
| C6 | C5 | C4 | H2 | 179.8° | 180.0° |
| C3 | C2 | C1 | C6 | 0.2° | 0.3° |
| C3 | C2 | C1 | H | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 179.3° | 180.0° |
| C2 | C3 | C4 | H2 | 179.9° | 179.8° |
| C9 | N | C | C1 | 179.8° | 179.9° |
| N | C9 | C8 | H6 | 180.0° | 179.9° |
| C9 | N | C | S | 0.1° | 0.6° |
| N | C9 | C8 | S | 0.1° | 0.0° |
| N | C9 | C8 | H5 | 179.9° | 179.8° |
| N | C | C1 | C6 | 147.5° | 0.2° |
| N | C | C1 | C2 | 33.0° | 179.5° |
| N | C | C1 | S | 179.8° | 179.5° |
| C | N | C9 | C8 | 0.1° | 0.4° |
| N | C | S | C8 | 0.0° | 0.4° |
| C | N | C9 | H6 | 180.0° | 179.6° |
| C6 | C1 | C2 | C | 179.5° | 179.7° |
| C6 | C1 | C | S | 32.6° | 179.7° |
| C6 | C1 | C2 | H | 179.8° | 179.8° |
| C2 | C1 | C | S | 146.9° | 0.0° |
| C1 | C2 | C3 | H1 | 179.9° | 179.9° |
| C2 | C1 | C6 | H3 | 179.8° | 180.0° |
| C1 | C | S | C8 | 179.8° | 180.0° |
| C | C1 | C2 | H | 0.7° | 0.1° |
| C | C1 | C6 | H3 | 0.7° | 0.3° |
| C9 | C8 | S | C | 0.0° | 0.2° |
| C9 | C8 | S | H5 | 180.0° | 179.8° |
| C | S | C8 | H5 | 180.0° | 179.9° |
| S | C8 | C9 | H6 | 180.0° | 180.0° |
| H | C2 | C3 | H1 | 0.1° | 0.0° |
| H1 | C3 | C4 | H2 | 0.1° | 0.1° |
| H5 | C8 | C9 | H6 | 0.0° | 0.2° |
