Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | OA1 | sing | 1.62Å | 1.41Å | |
P | O3 | doub | 1.50Å | 1.53Å | |
P | O2B | sing | 1.62Å | 1.55Å | |
OA1 | HOA | sing | 0.98Å | 0.95Å | |
O2B | C2B | sing | 1.42Å | 1.47Å | |
C2B | C1B | sing | 1.52Å | 1.46Å | |
C2B | C3B | sing | 1.52Å | 1.44Å | |
C2B | H2B | sing | 1.09Å | 1.12Å | |
C1B | H1B1 | sing | 1.09Å | 1.12Å | |
C1B | H1B2 | sing | 1.09Å | 1.11Å | |
C1B | H1B3 | sing | 1.10Å | 1.12Å | |
C3B | H3B1 | sing | 1.09Å | 1.12Å | |
C3B | H3B2 | sing | 1.10Å | 1.11Å | |
C3B | H3B3 | sing | 1.10Å | 1.11Å | |
P | OA2 | sing | 1.62Å | 38.02Å | |
OA2 | HOA2 | sing | 0.98Å | 0.00Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
OA1 | P | O3 | 113.9° | 115.3° |
OA1 | P | O2B | 106.7° | 103.8° |
P | OA1 | HOA | 113.9° | 118.9° |
OA1 | P | OA2 | 174.6° | 103.3° |
O3 | P | O2B | 102.7° | 115.1° |
O3 | P | OA2 | 67.7° | 115.0° |
P | O2B | C2B | 133.1° | 118.3° |
O2B | P | OA2 | 67.9° | 102.7° |
O2B | C2B | C1B | 102.8° | 109.2° |
O2B | C2B | C3B | 118.3° | 109.2° |
O2B | C2B | H2B | 110.1° | 107.4° |
C1B | C2B | C3B | 114.4° | 111.9° |
C1B | C2B | H2B | 114.4° | 109.5° |
C2B | C1B | H1B1 | 102.8° | 111.3° |
C2B | C1B | H1B2 | 114.7° | 110.4° |
C2B | C1B | H1B3 | 114.7° | 111.1° |
C3B | C2B | H2B | 97.3° | 109.5° |
C2B | C3B | H3B1 | 118.3° | 111.3° |
C2B | C3B | H3B2 | 109.0° | 110.4° |
C2B | C3B | H3B3 | 109.0° | 111.0° |
H1B1 | C1B | H1B2 | 114.8° | 108.6° |
H1B1 | C1B | H1B3 | 114.7° | 108.6° |
H1B2 | C1B | H1B3 | 95.8° | 106.7° |
H3B1 | C3B | H3B2 | 109.0° | 108.7° |
H3B1 | C3B | H3B3 | 109.1° | 108.7° |
H3B2 | C3B | H3B3 | 101.1° | 106.7° |
P | OA2 | HOA2 | 90.0° | 118.9° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
OA1 | P | O3 | O2B | 115.0° | 120.9° |
OA1 | P | O3 | OA2 | 174.4° | 120.1° |
OA1 | P | O2B | OA2 | 179.4° | 107.3° |
OA1 | P | O2B | C2B | 90.9° | 173.0° |
OA1 | P | OA2 | HOA2 | 90.0° | 78.5° |
O3 | P | O2B | OA2 | 59.3° | 125.7° |
O3 | P | OA1 | HOA | 180.0° | 48.8° |
O3 | P | O2B | C2B | 149.0° | 60.0° |
O3 | P | OA2 | HOA2 | 90.0° | 48.1° |
O2B | P | OA1 | HOA | 67.3° | 175.6° |
P | O2B | C2B | C1B | 144.4° | 60.0° |
P | O2B | C2B | C3B | 17.2° | 177.3° |
P | O2B | C2B | H2B | 93.4° | 58.7° |
O2B | P | OA2 | HOA2 | 90.0° | 173.8° |
HOA | OA1 | P | OA2 | 73.1° | 77.5° |
O2B | C2B | C1B | C3B | 129.6° | 121.1° |
O2B | C2B | C1B | H2B | 119.3° | 117.4° |
O2B | C2B | C3B | H2B | 117.6° | 117.4° |
O2B | C2B | C1B | H1B1 | 180.0° | 178.4° |
O2B | C2B | C1B | H1B2 | 54.7° | 57.6° |
O2B | C2B | C1B | H1B3 | 54.8° | 60.5° |
O2B | C2B | C3B | H3B1 | 179.9° | 178.4° |
O2B | C2B | C3B | H3B2 | 54.8° | 57.7° |
O2B | C2B | C3B | H3B3 | 54.7° | 60.4° |
C2B | O2B | P | OA2 | 89.7° | 65.7° |
C1B | C2B | C3B | H2B | 121.0° | 121.6° |
C2B | C1B | H1B1 | H1B2 | 125.3° | 121.7° |
C2B | C1B | H1B1 | H1B3 | 125.2° | 122.6° |
C2B | C1B | H1B2 | H1B3 | 120.6° | 120.8° |
C1B | C2B | C3B | H3B1 | 58.7° | 60.5° |
C1B | C2B | C3B | H3B2 | 176.2° | 178.7° |
C1B | C2B | C3B | H3B3 | 66.7° | 60.7° |
C3B | C2B | C1B | H1B1 | 50.4° | 60.6° |
C3B | C2B | C1B | H1B2 | 74.9° | 178.7° |
C3B | C2B | C1B | H1B3 | 175.6° | 60.6° |
C2B | C3B | H3B1 | H3B2 | 125.2° | 121.7° |
C2B | C3B | H3B1 | H3B3 | 125.3° | 122.6° |
C2B | C3B | H3B2 | H3B3 | 114.8° | 120.7° |
H2B | C2B | C1B | H1B1 | 60.6° | 61.0° |
H2B | C2B | C1B | H1B2 | 174.1° | 59.7° |
H2B | C2B | C1B | H1B3 | 64.6° | 177.9° |
H2B | C2B | C3B | H3B1 | 62.4° | 61.1° |
H2B | C2B | C3B | H3B2 | 62.8° | 59.7° |
H2B | C2B | C3B | H3B3 | 172.3° | 177.8° |
H1B1 | C1B | H1B2 | H1B3 | 120.6° | 116.9° |
H3B1 | C3B | H3B2 | H3B3 | 114.8° | 117.0° |