FV1
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C1 | sing | 1.43Å | 1.46Å | |
O | C2 | sing | 1.43Å | 1.41Å | |
P | O3P | sing | 1.61Å | 1.57Å | |
P | C1 | sing | 1.82Å | 1.80Å | |
V | O2P | sing | 1.84Å | 1.94Å | |
V | O3 | doub | 1.58Å | 2.04Å | |
C1 | C2 | sing | 1.53Å | 1.55Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | V | sing | 1.84Å | 1.93Å | |
O1 | HO1 | sing | 0.97Å | 0.95Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | V | sing | 1.84Å | 1.92Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | C2 | sing | 1.53Å | 1.55Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
C3 | H3A | sing | 1.09Å | 1.10Å | |
C3 | H3B | sing | 1.09Å | 1.10Å | |
O1P | P | doub | 1.48Å | 1.52Å | |
O2P | P | sing | 1.61Å | 1.53Å | |
O3P | HO3P | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C1 | O | C2 | 65.2° | 64.7° |
O | C1 | P | 119.3° | 117.7° |
O | C1 | C2 | 55.5° | 57.6° |
O | C1 | H1 | 139.6° | 117.8° |
O | C2 | C1 | 59.2° | 57.7° |
O | C2 | H2 | 134.2° | 117.7° |
O | C2 | C3 | 125.1° | 117.8° |
O3P | P | C1 | 105.5° | 109.5° |
O3P | P | O1P | 117.0° | 109.5° |
O3P | P | O2P | 110.5° | 109.4° |
P | O3P | HO3P | 109.5° | 114.0° |
P | C1 | C2 | 125.2° | 117.8° |
P | C1 | H1 | 87.3° | 115.7° |
C1 | P | O1P | 110.2° | 109.5° |
C1 | P | O2P | 107.3° | 109.5° |
O2P | V | O3 | 127.0° | 109.5° |
O2P | V | O1 | 94.1° | 109.5° |
O2P | V | O2 | 98.1° | 109.5° |
V | O2P | P | 142.3° | 114.0° |
O3 | V | O1 | 113.4° | 109.5° |
O3 | V | O2 | 108.5° | 109.5° |
C2 | C1 | H1 | 134.4° | 117.8° |
C1 | C2 | H2 | 136.6° | 117.8° |
C1 | C2 | C3 | 122.4° | 117.8° |
V | O1 | HO1 | 109.5° | 114.0° |
O1 | V | O2 | 114.8° | 109.5° |
H2 | C2 | C3 | 85.3° | 115.7° |
V | O2 | HO2 | 109.5° | 114.0° |
C2 | C3 | H3 | 109.5° | 109.4° |
C2 | C3 | H3A | 109.5° | 109.5° |
C2 | C3 | H3B | 109.5° | 109.5° |
H3 | C3 | H3A | 109.5° | 109.4° |
H3 | C3 | H3B | 109.5° | 109.5° |
H3A | C3 | H3B | 109.5° | 109.5° |
O1P | P | O2P | 106.0° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C1 | P | O3P | 163.5° | 128.6° |
O | C1 | P | C2 | 66.5° | 66.0° |
O | C1 | P | H1 | 148.0° | 146.9° |
O | C1 | C2 | H1 | 128.3° | 106.8° |
C1 | O | C2 | H2 | 127.0° | 106.9° |
O | C1 | C2 | C3 | 114.6° | 106.8° |
O | C1 | P | O1P | 36.3° | 8.6° |
O | C1 | P | O2P | 78.7° | 111.4° |
O | C2 | H2 | C3 | 136.5° | 146.9° |
O | C2 | C3 | H3 | 180.0° | 8.7° |
O | C2 | C3 | H3A | 60.0° | 128.6° |
O | C2 | C3 | H3B | 60.0° | 111.3° |
O3P | P | C1 | O1P | 127.2° | 120.0° |
O3P | P | C1 | O2P | 117.8° | 119.9° |
O3P | P | O2P | V | 17.2° | 60.0° |
O3P | P | C1 | C2 | 97.0° | 62.6° |
O3P | P | C1 | H1 | 48.5° | 84.4° |
O3P | P | O1P | O2P | 123.7° | 120.0° |
C1 | P | O2P | V | 97.3° | 180.0° |
P | C1 | C2 | H1 | 127.7° | 146.4° |
P | C1 | C2 | H2 | 132.5° | 146.4° |
P | C1 | C2 | C3 | 10.6° | 0.0° |
C1 | P | O1P | O2P | 115.8° | 120.0° |
C1 | P | O3P | HO3P | 123.0° | 59.9° |
O2P | V | O3 | O1 | 115.2° | 120.0° |
O2P | V | O3 | O2 | 116.0° | 120.0° |
O2P | V | O1 | O2 | 100.9° | 120.0° |
O2P | V | O1 | HO1 | 180.0° | 60.0° |
O2P | V | O2 | HO2 | 180.0° | 180.0° |
V | O2P | P | O1P | 144.9° | 60.0° |
O3 | V | O1 | O2 | 125.5° | 120.0° |
O3 | V | O1 | HO1 | 46.4° | 180.0° |
O3 | V | O2 | HO2 | 46.5° | 60.0° |
O3 | V | O2P | P | 11.3° | 60.0° |
C1 | C2 | H2 | C3 | 134.0° | 147.0° |
C1 | C2 | C3 | H3 | 107.1° | 57.4° |
C1 | C2 | C3 | H3A | 132.9° | 62.5° |
C1 | C2 | C3 | H3B | 12.9° | 177.4° |
C2 | C1 | P | O1P | 30.2° | 57.4° |
C2 | C1 | P | O2P | 145.2° | 177.4° |
H1 | C1 | C2 | H2 | 4.9° | 0.0° |
H1 | C1 | C2 | C3 | 117.1° | 146.3° |
H1 | C1 | P | O1P | 175.7° | 155.5° |
H1 | C1 | P | O2P | 69.3° | 35.5° |
O1 | V | O2 | HO2 | 81.6° | 60.0° |
O1 | V | O2P | P | 134.9° | 60.0° |
HO1 | O1 | V | O2 | 79.1° | 60.0° |
H2 | C2 | C3 | H3 | 37.1° | 155.6° |
H2 | C2 | C3 | H3A | 82.9° | 84.5° |
H2 | C2 | C3 | H3B | 157.1° | 35.6° |
O2 | V | O2P | P | 109.3° | 180.0° |
C2 | C3 | H3 | H3A | 120.0° | 119.9° |
C2 | C3 | H3 | H3B | 120.0° | 120.0° |
C2 | C3 | H3A | H3B | 120.0° | 120.0° |
H3 | C3 | H3A | H3B | 120.0° | 120.0° |
O1P | P | O3P | HO3P | 0.0° | 180.0° |
O2P | P | O3P | HO3P | 121.4° | 60.0° |