PI
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | O1 | doub | 1.57Å | 1.49Å | |
P | O2 | sing | 1.61Å | 1.52Å | |
P | O3 | sing | 1.57Å | 1.44Å | |
P | O4 | sing | 1.57Å | 1.48Å | |
O4 | HO4 | sing | 1.57Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O1 | P | O2 | 112.4° | 109.5° |
O1 | P | O3 | 116.4° | 109.5° |
O1 | P | O4 | 109.0° | 109.5° |
O2 | P | O3 | 111.1° | 109.4° |
O2 | P | O4 | 98.4° | 109.5° |
O3 | P | O4 | 107.9° | 109.5° |
P | O4 | HO4 | 109.0° | 1.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1 | P | O2 | O3 | 132.4° | 120.0° |
O1 | P | O2 | O4 | 114.6° | 120.0° |
O1 | P | O3 | O4 | 122.8° | 120.0° |
O1 | P | O4 | HO4 | 180.0° | 102.8° |
O2 | P | O3 | O4 | 106.8° | 120.0° |
O2 | P | O4 | HO4 | 62.8° | 17.2° |
O3 | P | O4 | HO4 | 52.8° | 137.2° |