JV4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2P | P11 | doub | 1.48Å | 1.52Å | |
| O3P | P11 | sing | 1.61Å | 1.51Å | |
| P11 | O1P | sing | 1.61Å | 1.54Å | |
| P11 | O1 | sing | 1.61Å | 1.65Å | |
| O1 | C1 | sing | 1.43Å | 1.40Å | |
| C1 | O5 | sing | 1.43Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| O5 | C5 | sing | 1.43Å | 1.51Å | |
| C5 | C6 | sing | 1.53Å | 1.49Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| O2 | C2 | sing | 1.43Å | 1.42Å | |
| C6 | F07 | sing | 1.40Å | 1.36Å | |
| C3 | C2 | sing | 1.53Å | 1.49Å | |
| C3 | C4 | sing | 1.53Å | 1.47Å | |
| C3 | O3 | sing | 1.43Å | 1.47Å | |
| C4 | O4 | sing | 1.43Å | 1.47Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| O1P | H8 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O3P | H11 | sing | 0.97Å | 0.95Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2P | P11 | O3P | 108.2° | 109.5° |
| O2P | P11 | O1P | 110.0° | 109.5° |
| O2P | P11 | O1 | 110.1° | 109.5° |
| O3P | P11 | O1P | 110.2° | 109.5° |
| O3P | P11 | O1 | 109.4° | 109.4° |
| P11 | O3P | H11 | 109.5° | 113.9° |
| O1P | P11 | O1 | 108.8° | 109.5° |
| P11 | O1P | H8 | 109.5° | 114.0° |
| P11 | O1 | C1 | 121.0° | 123.0° |
| O1 | C1 | O5 | 107.6° | 109.5° |
| O1 | C1 | C2 | 108.7° | 109.5° |
| O1 | C1 | H1 | 110.8° | 109.4° |
| O5 | C1 | C2 | 110.8° | 109.5° |
| C1 | O5 | C5 | 113.0° | 114.1° |
| O5 | C1 | H1 | 110.0° | 109.4° |
| C1 | C2 | O2 | 110.8° | 109.6° |
| C1 | C2 | C3 | 109.0° | 109.2° |
| C2 | C1 | H1 | 108.9° | 109.5° |
| C1 | C2 | H2 | 108.1° | 109.5° |
| O5 | C5 | C6 | 111.0° | 109.5° |
| O5 | C5 | C4 | 111.0° | 109.4° |
| O5 | C5 | H5 | 108.3° | 109.5° |
| C6 | C5 | C4 | 109.7° | 109.5° |
| C5 | C6 | F07 | 110.3° | 109.5° |
| C6 | C5 | H5 | 108.6° | 109.5° |
| C5 | C6 | H61 | 109.3° | 109.5° |
| C5 | C6 | H62 | 109.3° | 109.5° |
| C5 | C4 | C3 | 108.7° | 109.2° |
| C5 | C4 | O4 | 111.2° | 109.5° |
| C5 | C4 | H4 | 108.1° | 109.6° |
| C4 | C5 | H5 | 108.1° | 109.5° |
| O2 | C2 | C3 | 110.2° | 109.5° |
| O2 | C2 | H2 | 109.8° | 109.6° |
| C2 | O2 | HO2 | 109.5° | 114.0° |
| F07 | C6 | H61 | 109.2° | 109.4° |
| F07 | C6 | H62 | 109.3° | 109.5° |
| C2 | C3 | C4 | 108.0° | 109.0° |
| C2 | C3 | O3 | 111.3° | 109.6° |
| C2 | C3 | H3 | 108.6° | 109.5° |
| C3 | C2 | H2 | 108.8° | 109.5° |
| C4 | C3 | O3 | 111.1° | 109.5° |
| C3 | C4 | O4 | 111.3° | 109.5° |
| C4 | C3 | H3 | 108.9° | 109.5° |
| C3 | C4 | H4 | 108.8° | 109.5° |
| O3 | C3 | H3 | 108.9° | 109.6° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| O4 | C4 | H4 | 108.7° | 109.5° |
| C4 | O4 | HO4 | 109.5° | 114.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2P | P11 | O3P | O1P | 120.3° | 120.0° |
| O2P | P11 | O3P | O1 | 120.0° | 120.0° |
| O2P | P11 | O1P | O1 | 120.7° | 120.0° |
| O2P | P11 | O1 | C1 | 175.7° | 55.0° |
| O2P | P11 | O1P | H8 | 0.0° | 180.0° |
| O2P | P11 | O3P | H11 | 0.0° | 60.1° |
| O3P | P11 | O1P | O1 | 120.0° | 120.0° |
| O3P | P11 | O1 | C1 | 56.8° | 175.0° |
| O3P | P11 | O1P | H8 | 119.3° | 60.0° |
| O1P | P11 | O1 | C1 | 63.7° | 65.0° |
| O1P | P11 | O3P | H11 | 120.3° | 60.0° |
| P11 | O1 | C1 | O5 | 140.7° | 90.0° |
| P11 | O1 | C1 | C2 | 99.2° | 150.0° |
| P11 | O1 | C1 | H1 | 20.4° | 30.0° |
| O1 | P11 | O1P | H8 | 120.7° | 60.0° |
| O1 | P11 | O3P | H11 | 120.0° | 180.0° |
| O1 | C1 | O5 | C2 | 118.8° | 120.0° |
| O1 | C1 | O5 | H1 | 120.8° | 120.0° |
| O1 | C1 | C2 | H1 | 120.8° | 120.0° |
| O1 | C1 | O5 | C5 | 67.8° | 58.8° |
| O1 | C1 | C2 | O2 | 61.0° | 57.5° |
| O1 | C1 | C2 | C3 | 60.4° | 62.4° |
| O1 | C1 | C2 | H2 | 178.6° | 177.7° |
| O5 | C1 | C2 | H1 | 121.1° | 120.0° |
| C1 | O5 | C5 | C6 | 173.7° | 178.9° |
| C1 | O5 | C5 | C4 | 51.4° | 61.1° |
| O5 | C1 | C2 | O2 | 179.1° | 177.5° |
| O5 | C1 | C2 | C3 | 57.6° | 57.6° |
| C1 | O5 | C5 | H5 | 67.2° | 58.8° |
| O5 | C1 | C2 | H2 | 60.5° | 62.3° |
| C2 | C1 | O5 | C5 | 51.0° | 61.2° |
| C1 | C2 | O2 | C3 | 120.8° | 119.7° |
| C1 | C2 | O2 | H2 | 119.4° | 120.2° |
| C1 | C2 | C3 | H2 | 117.7° | 119.9° |
| C1 | C2 | C3 | C4 | 64.9° | 57.0° |
| C1 | C2 | C3 | O3 | 172.9° | 176.8° |
| C1 | C2 | C3 | H3 | 53.1° | 62.9° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.3° |
| O5 | C5 | C6 | C4 | 123.1° | 120.0° |
| O5 | C5 | C6 | H5 | 118.9° | 120.0° |
| O5 | C5 | C4 | H5 | 118.6° | 120.0° |
| O5 | C5 | C6 | F07 | 49.2° | 65.1° |
| O5 | C5 | C4 | C3 | 57.6° | 57.6° |
| O5 | C5 | C4 | O4 | 179.5° | 177.5° |
| O5 | C5 | C4 | H4 | 60.2° | 62.3° |
| O5 | C5 | C6 | H61 | 70.9° | 174.9° |
| O5 | C5 | C6 | H62 | 169.3° | 55.0° |
| C5 | O5 | C1 | H1 | 171.5° | 178.8° |
| C6 | C5 | C4 | H5 | 118.3° | 120.0° |
| C5 | C6 | F07 | H61 | 120.1° | 120.0° |
| C5 | C6 | F07 | H62 | 120.1° | 120.0° |
| C6 | C5 | C4 | C3 | 179.2° | 177.6° |
| C6 | C5 | C4 | O4 | 56.4° | 62.5° |
| C6 | C5 | C4 | H4 | 62.9° | 57.7° |
| C5 | C6 | H61 | H62 | 119.6° | 120.0° |
| C4 | C5 | C6 | F07 | 73.9° | 175.0° |
| C5 | C4 | C3 | C2 | 64.9° | 57.0° |
| C5 | C4 | C3 | O4 | 122.8° | 119.9° |
| C5 | C4 | C3 | H4 | 117.4° | 119.9° |
| C5 | C4 | C3 | O3 | 172.7° | 176.8° |
| C5 | C4 | O4 | H4 | 118.8° | 120.2° |
| C5 | C4 | C3 | H3 | 52.8° | 62.9° |
| C4 | C5 | C6 | H61 | 166.0° | 55.0° |
| C4 | C5 | C6 | H62 | 46.2° | 65.0° |
| C5 | C4 | O4 | HO4 | 180.0° | 60.3° |
| O2 | C2 | C3 | H2 | 120.4° | 120.2° |
| O2 | C2 | C3 | C4 | 173.3° | 176.9° |
| O2 | C2 | C3 | O3 | 51.0° | 63.2° |
| O2 | C2 | C3 | H3 | 68.8° | 57.1° |
| O2 | C2 | C1 | H1 | 59.8° | 62.5° |
| F07 | C6 | C5 | H5 | 168.1° | 55.0° |
| F07 | C6 | H61 | H62 | 119.6° | 120.0° |
| C2 | C3 | C4 | O3 | 122.3° | 119.9° |
| C2 | C3 | C4 | H3 | 117.8° | 119.9° |
| C2 | C3 | O3 | H3 | 119.6° | 120.2° |
| C2 | C3 | C4 | O4 | 172.3° | 176.9° |
| C2 | C3 | C4 | H4 | 52.5° | 63.0° |
| C3 | C2 | C1 | H1 | 178.8° | 177.6° |
| C3 | C2 | O2 | HO2 | 59.3° | 180.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
| C4 | C3 | O3 | H3 | 119.9° | 120.2° |
| C3 | C4 | O4 | H4 | 119.8° | 120.1° |
| C3 | C4 | C5 | H5 | 61.0° | 62.4° |
| C4 | C3 | C2 | H2 | 52.9° | 62.9° |
| C4 | C3 | O3 | HO3 | 59.6° | 179.5° |
| C3 | C4 | O4 | HO4 | 58.7° | 180.0° |
| O3 | C3 | C4 | O4 | 49.9° | 63.2° |
| O3 | C3 | C4 | H4 | 69.8° | 56.9° |
| O3 | C3 | C2 | H2 | 69.4° | 56.9° |
| O4 | C4 | C3 | H3 | 70.0° | 57.0° |
| O4 | C4 | C5 | H5 | 61.9° | 57.6° |
| H3 | C3 | C4 | H4 | 170.2° | 177.2° |
| H3 | C3 | C2 | H2 | 170.8° | 177.2° |
| H3 | C3 | O3 | HO3 | 60.3° | 60.3° |
| H4 | C4 | C5 | H5 | 178.9° | 177.7° |
| H4 | C4 | O4 | HO4 | 61.1° | 59.9° |
| H5 | C5 | C6 | H61 | 48.0° | 65.0° |
| H5 | C5 | C6 | H62 | 71.8° | 175.0° |
| H1 | C1 | C2 | H2 | 60.6° | 57.7° |
| H2 | C2 | O2 | HO2 | 60.6° | 59.9° |
