KOP
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | O4 | sing | 1.61Å | 1.58Å | |
P | O1P | doub | 1.48Å | 1.52Å | |
P | O2P | sing | 1.61Å | 1.53Å | |
P | O3P | sing | 1.61Å | 1.53Å | |
C1 | O4 | sing | 1.43Å | 1.38Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C1 | H1A | sing | 1.09Å | 1.10Å | |
C1 | H1B | sing | 1.09Å | 1.10Å | |
O2P | HO2P | sing | 0.97Å | 0.95Å | |
O3P | HO3P | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O4 | P | O1P | 106.9° | 109.5° |
O4 | P | O2P | 111.0° | 109.5° |
O4 | P | O3P | 111.4° | 109.5° |
P | O4 | C1 | 118.9° | 123.0° |
O1P | P | O2P | 111.3° | 109.5° |
O1P | P | O3P | 109.5° | 109.4° |
O2P | P | O3P | 106.8° | 109.5° |
P | O2P | HO2P | 109.5° | 114.0° |
P | O3P | HO3P | 109.5° | 114.0° |
O4 | C1 | H1 | 109.5° | 109.5° |
O4 | C1 | H1A | 109.5° | 109.5° |
O4 | C1 | H1B | 109.5° | 109.5° |
H1 | C1 | H1A | 109.4° | 109.5° |
H1 | C1 | H1B | 109.5° | 109.4° |
H1A | C1 | H1B | 109.4° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O4 | P | O1P | O2P | 121.4° | 120.0° |
O4 | P | O1P | O3P | 120.8° | 120.0° |
O4 | P | O2P | O3P | 121.6° | 120.0° |
P | O4 | C1 | H1 | 180.0° | 60.0° |
P | O4 | C1 | H1A | 60.0° | 60.0° |
P | O4 | C1 | H1B | 60.0° | 180.0° |
O4 | P | O2P | HO2P | 118.9° | 60.0° |
O4 | P | O3P | HO3P | 118.0° | 179.9° |
O1P | P | O2P | O3P | 119.5° | 120.0° |
O1P | P | O4 | C1 | 17.1° | 55.0° |
O1P | P | O2P | HO2P | 0.0° | 180.0° |
O1P | P | O3P | HO3P | 0.0° | 60.1° |
O2P | P | O4 | C1 | 138.6° | 65.0° |
O2P | P | O3P | HO3P | 120.6° | 59.9° |
O3P | P | O4 | C1 | 102.5° | 175.0° |
O3P | P | O2P | HO2P | 119.5° | 60.0° |
O4 | C1 | H1 | H1A | 120.0° | 120.1° |
O4 | C1 | H1 | H1B | 120.1° | 120.0° |
O4 | C1 | H1A | H1B | 120.0° | 120.0° |
H1 | C1 | H1A | H1B | 119.9° | 119.9° |