P6F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3P | P1 | doub | 1.48Å | 1.61Å | |
| O1P | P1 | sing | 1.61Å | 1.48Å | |
| P1 | O1 | sing | 1.61Å | 1.61Å | |
| P1 | O2P | sing | 1.61Å | 1.61Å | |
| O1P | HO1P | sing | 0.97Å | 0.95Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C3 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | O3 | sing | 1.43Å | 1.43Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | O4 | sing | 1.43Å | 1.43Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| O5 | C5 | sing | 1.43Å | 1.43Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| O6 | C6 | sing | 1.43Å | 1.43Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| P2 | O6 | sing | 1.61Å | 1.61Å | |
| O4P | P2 | doub | 1.48Å | 1.61Å | |
| O6P | P2 | sing | 1.61Å | 1.61Å | |
| P2 | O5P | sing | 1.61Å | 1.48Å | |
| O5P | HO5P | sing | 0.97Å | 0.95Å | |
| O6P | HO6P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3P | P1 | O1P | 111.7° | 109.4° |
| O3P | P1 | O1 | 106.6° | 109.4° |
| O3P | P1 | O2P | 107.7° | 109.5° |
| O1P | P1 | O1 | 112.9° | 109.5° |
| O1P | P1 | O2P | 112.2° | 109.5° |
| P1 | O1P | HO1P | 109.5° | 114.0° |
| O1 | P1 | O2P | 105.3° | 109.5° |
| P1 | O1 | C1 | 120.3° | 123.0° |
| P1 | O2P | HO2P | 109.5° | 114.0° |
| O1 | C1 | C2 | 111.0° | 109.5° |
| O1 | C1 | H1 | 109.0° | 109.4° |
| O1 | C1 | H1A | 108.6° | 109.5° |
| C2 | C1 | H1 | 108.9° | 109.5° |
| C2 | C1 | H1A | 108.6° | 109.5° |
| C1 | C2 | C3 | 118.1° | 120.0° |
| C1 | C2 | O2 | 120.5° | 120.0° |
| H1 | C1 | H1A | 110.7° | 109.4° |
| C3 | C2 | O2 | 121.5° | 120.0° |
| C2 | C3 | C4 | 109.3° | 109.5° |
| C2 | C3 | O3 | 110.9° | 109.4° |
| C2 | C3 | H3 | 109.1° | 109.5° |
| C4 | C3 | O3 | 111.0° | 109.5° |
| C4 | C3 | H3 | 109.0° | 109.5° |
| C3 | C4 | C5 | 109.8° | 109.5° |
| C3 | C4 | O4 | 109.2° | 109.5° |
| C3 | C4 | H4 | 109.4° | 109.5° |
| O3 | C3 | H3 | 107.4° | 109.5° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C5 | C4 | O4 | 109.4° | 109.4° |
| C5 | C4 | H4 | 109.2° | 109.4° |
| C4 | C5 | O5 | 108.5° | 109.5° |
| C4 | C5 | C6 | 113.0° | 109.5° |
| C4 | C5 | H5 | 107.6° | 109.5° |
| O4 | C4 | H4 | 109.8° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| O5 | C5 | C6 | 108.9° | 109.4° |
| O5 | C5 | H5 | 111.8° | 109.4° |
| C5 | O5 | HO5 | 109.5° | 114.0° |
| C6 | C5 | H5 | 107.2° | 109.5° |
| C5 | C6 | O6 | 109.5° | 109.5° |
| C5 | C6 | H6 | 109.5° | 109.4° |
| C5 | C6 | H6A | 109.5° | 109.5° |
| O6 | C6 | H6 | 109.4° | 109.5° |
| O6 | C6 | H6A | 109.5° | 109.5° |
| C6 | O6 | P2 | 120.1° | 123.0° |
| H6 | C6 | H6A | 109.5° | 109.4° |
| O6 | P2 | O4P | 106.9° | 109.5° |
| O6 | P2 | O6P | 105.7° | 109.5° |
| O6 | P2 | O5P | 112.6° | 109.5° |
| O4P | P2 | O6P | 107.2° | 109.5° |
| O4P | P2 | O5P | 112.2° | 109.5° |
| O6P | P2 | O5P | 111.7° | 109.5° |
| P2 | O6P | HO6P | 109.5° | 114.0° |
| P2 | O5P | HO5P | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3P | P1 | O1P | O1 | 120.2° | 119.9° |
| O3P | P1 | O1P | O2P | 121.0° | 120.0° |
| O3P | P1 | O1 | O2P | 114.2° | 120.0° |
| O3P | P1 | O1P | HO1P | 174.6° | 180.0° |
| O3P | P1 | O2P | HO2P | 1.3° | 60.0° |
| O3P | P1 | O1 | C1 | 4.5° | 55.0° |
| O1P | P1 | O1 | O2P | 122.8° | 120.1° |
| O1P | P1 | O2P | HO2P | 124.7° | 59.9° |
| O1P | P1 | O1 | C1 | 118.6° | 64.9° |
| O1 | P1 | O1P | HO1P | 65.3° | 60.1° |
| O1 | P1 | O2P | HO2P | 112.1° | 180.0° |
| P1 | O1 | C1 | C2 | 179.4° | 180.0° |
| P1 | O1 | C1 | H1 | 60.6° | 60.0° |
| P1 | O1 | C1 | H1A | 60.1° | 59.9° |
| O2P | P1 | O1P | HO1P | 53.5° | 60.0° |
| O2P | P1 | O1 | C1 | 118.7° | 175.0° |
| O1 | C1 | C2 | H1 | 120.0° | 120.0° |
| O1 | C1 | C2 | H1A | 119.4° | 120.1° |
| O1 | C1 | H1 | H1A | 119.4° | 120.0° |
| O1 | C1 | C2 | C3 | 138.7° | 180.0° |
| O1 | C1 | C2 | O2 | 42.4° | 0.0° |
| C2 | C1 | H1 | H1A | 119.4° | 120.0° |
| C1 | C2 | C3 | O2 | 178.9° | 180.0° |
| C1 | C2 | C3 | C4 | 87.2° | 75.0° |
| C1 | C2 | C3 | O3 | 150.1° | 165.0° |
| C1 | C2 | C3 | H3 | 32.0° | 45.0° |
| H1 | C1 | C2 | C3 | 18.7° | 60.0° |
| H1 | C1 | C2 | O2 | 162.4° | 120.0° |
| H1A | C1 | C2 | C3 | 101.9° | 60.0° |
| H1A | C1 | C2 | O2 | 77.0° | 120.0° |
| C2 | C3 | C4 | O3 | 122.7° | 119.9° |
| C2 | C3 | C4 | H3 | 119.2° | 120.0° |
| C2 | C3 | O3 | H3 | 119.2° | 120.0° |
| C2 | C3 | O3 | HO3 | 24.3° | 60.0° |
| C2 | C3 | C4 | C5 | 122.6° | 175.0° |
| C2 | C3 | C4 | O4 | 117.4° | 55.0° |
| C2 | C3 | C4 | H4 | 2.8° | 65.1° |
| O2 | C2 | C3 | C4 | 94.0° | 105.0° |
| O2 | C2 | C3 | O3 | 28.7° | 15.0° |
| O2 | C2 | C3 | H3 | 146.9° | 135.0° |
| C4 | C3 | O3 | H3 | 119.1° | 120.0° |
| C4 | C3 | O3 | HO3 | 97.4° | 59.9° |
| C3 | C4 | C5 | O4 | 119.8° | 120.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | O4 | H4 | 120.0° | 120.0° |
| C3 | C4 | O4 | HO4 | 82.7° | 60.0° |
| C3 | C4 | C5 | O5 | 66.6° | 60.0° |
| C3 | C4 | C5 | C6 | 172.6° | 180.0° |
| C3 | C4 | C5 | H5 | 54.5° | 59.9° |
| O3 | C3 | C4 | C5 | 114.7° | 55.0° |
| O3 | C3 | C4 | O4 | 5.2° | 65.0° |
| O3 | C3 | C4 | H4 | 125.5° | 175.0° |
| H3 | C3 | O3 | HO3 | 143.5° | 180.0° |
| H3 | C3 | C4 | C5 | 3.4° | 65.0° |
| H3 | C3 | C4 | O4 | 123.3° | 175.0° |
| H3 | C3 | C4 | H4 | 116.4° | 55.0° |
| C5 | C4 | O4 | H4 | 119.8° | 119.9° |
| C5 | C4 | O4 | HO4 | 157.2° | 60.0° |
| C4 | C5 | O5 | C6 | 123.3° | 120.0° |
| C4 | C5 | O5 | H5 | 118.4° | 120.0° |
| C4 | C5 | C6 | H5 | 118.3° | 120.1° |
| C4 | C5 | O5 | HO5 | 160.7° | 60.0° |
| C4 | C5 | C6 | O6 | 171.4° | 175.0° |
| C4 | C5 | C6 | H6 | 51.4° | 55.0° |
| C4 | C5 | C6 | H6A | 68.7° | 64.9° |
| O4 | C4 | C5 | O5 | 173.6° | 180.0° |
| O4 | C4 | C5 | C6 | 52.8° | 60.0° |
| O4 | C4 | C5 | H5 | 65.3° | 60.1° |
| H4 | C4 | O4 | HO4 | 37.3° | 180.0° |
| H4 | C4 | C5 | O5 | 53.4° | 60.0° |
| H4 | C4 | C5 | C6 | 67.4° | 60.0° |
| H4 | C4 | C5 | H5 | 174.5° | 180.0° |
| O5 | C5 | C6 | H5 | 121.1° | 119.9° |
| O5 | C5 | C6 | O6 | 68.0° | 65.0° |
| O5 | C5 | C6 | H6 | 172.0° | 175.0° |
| O5 | C5 | C6 | H6A | 52.0° | 55.1° |
| C6 | C5 | O5 | HO5 | 76.0° | 60.1° |
| C5 | C6 | O6 | H6 | 120.0° | 120.0° |
| C5 | C6 | O6 | H6A | 120.0° | 120.0° |
| C5 | C6 | H6 | H6A | 120.0° | 120.0° |
| C5 | C6 | O6 | P2 | 165.6° | 180.0° |
| H5 | C5 | O5 | HO5 | 42.3° | 179.9° |
| H5 | C5 | C6 | O6 | 53.1° | 54.9° |
| H5 | C5 | C6 | H6 | 66.9° | 65.1° |
| H5 | C5 | C6 | H6A | 173.0° | 175.0° |
| O6 | C6 | H6 | H6A | 120.0° | 120.0° |
| C6 | O6 | P2 | O4P | 161.8° | 55.0° |
| C6 | O6 | P2 | O6P | 84.2° | 175.0° |
| C6 | O6 | P2 | O5P | 38.1° | 65.0° |
| H6 | C6 | O6 | P2 | 45.7° | 60.0° |
| H6A | C6 | O6 | P2 | 74.4° | 60.0° |
| O6 | P2 | O4P | O6P | 113.0° | 120.0° |
| O6 | P2 | O4P | O5P | 124.0° | 120.0° |
| O6 | P2 | O6P | O5P | 122.9° | 120.0° |
| O6 | P2 | O5P | HO5P | 59.6° | 60.0° |
| O6 | P2 | O6P | HO6P | 115.6° | 180.0° |
| O4P | P2 | O6P | O5P | 123.4° | 120.0° |
| O4P | P2 | O5P | HO5P | 179.7° | 180.0° |
| O4P | P2 | O6P | HO6P | 1.8° | 60.0° |
| O6P | P2 | O5P | HO5P | 59.2° | 60.0° |
| O5P | P2 | O6P | HO6P | 121.5° | 60.0° |
