RI2
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O1P | P | doub | 1.48Å | 1.56Å | |
O5 | P | sing | 1.61Å | 1.60Å | |
P | O3P | sing | 1.61Å | 1.56Å | |
P | O2P | sing | 1.61Å | 1.57Å | |
C2 | C1 | sing | 1.54Å | 1.51Å | |
O1 | C1 | sing | 1.43Å | 1.40Å | |
C1 | O4 | sing | 1.43Å | 1.45Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
O1 | PA | sing | 1.61Å | 1.61Å | |
O2 | C2 | sing | 1.43Å | 1.44Å | |
C2 | C3 | sing | 1.55Å | 1.46Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
O3 | C3 | sing | 1.43Å | 1.41Å | |
C3 | C4 | sing | 1.55Å | 1.53Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | O4 | sing | 1.44Å | 1.42Å | |
C4 | C5 | sing | 1.53Å | 1.48Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
C5 | O5 | sing | 1.43Å | 1.45Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.09Å | 1.10Å | |
O2A | PA | doub | 1.48Å | 1.57Å | |
PA | O1A | sing | 1.61Å | 1.51Å | |
PA | O3A | sing | 1.61Å | 1.54Å | |
O1A | HO1A | sing | 0.97Å | 0.95Å | |
O2P | HO2P | sing | 0.97Å | 0.95Å | |
O3A | HO3A | 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) |
O1P | P | O5 | 105.6° | 109.5° |
O1P | P | O3P | 111.5° | 109.5° |
O1P | P | O2P | 113.4° | 109.5° |
O5 | P | O3P | 107.3° | 109.5° |
O5 | P | O2P | 106.9° | 109.5° |
P | O5 | C5 | 118.4° | 123.0° |
O3P | P | O2P | 111.6° | 109.4° |
P | O3P | HO3P | 109.5° | 114.0° |
P | O2P | HO2P | 109.5° | 114.0° |
C2 | C1 | O1 | 113.0° | 109.9° |
C2 | C1 | O4 | 108.0° | 107.5° |
C2 | C1 | H1 | 107.6° | 109.8° |
C1 | C2 | O2 | 109.8° | 110.9° |
C1 | C2 | C3 | 99.6° | 102.3° |
C1 | C2 | H2 | 116.9° | 110.8° |
O1 | C1 | O4 | 108.1° | 109.8° |
O1 | C1 | H1 | 107.6° | 109.9° |
C1 | O1 | PA | 119.5° | 123.0° |
O4 | C1 | H1 | 112.6° | 109.8° |
C1 | O4 | C4 | 104.4° | 110.0° |
O1 | PA | O2A | 100.6° | 109.5° |
O1 | PA | O1A | 106.9° | 109.5° |
O1 | PA | O3A | 108.4° | 109.4° |
O2 | C2 | C3 | 113.5° | 110.8° |
O2 | C2 | H2 | 103.9° | 110.9° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C3 | C2 | H2 | 113.5° | 110.8° |
C2 | C3 | O3 | 113.5° | 111.1° |
C2 | C3 | C4 | 99.1° | 101.0° |
C2 | C3 | H3 | 115.3° | 111.2° |
O3 | C3 | C4 | 114.0° | 111.1° |
O3 | C3 | H3 | 100.8° | 111.0° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C4 | C3 | H3 | 114.8° | 111.1° |
C3 | C4 | O4 | 105.9° | 105.1° |
C3 | C4 | C5 | 111.6° | 110.3° |
C3 | C4 | H4 | 111.1° | 110.3° |
O4 | C4 | C5 | 111.3° | 110.3° |
O4 | C4 | H4 | 111.4° | 110.3° |
C5 | C4 | H4 | 105.7° | 110.4° |
C4 | C5 | O5 | 109.5° | 109.5° |
C4 | C5 | H51 | 109.5° | 109.4° |
C4 | C5 | H52 | 109.5° | 109.5° |
O5 | C5 | H51 | 109.4° | 109.5° |
O5 | C5 | H52 | 109.4° | 109.5° |
H51 | C5 | H52 | 109.5° | 109.5° |
O2A | PA | O1A | 111.4° | 109.5° |
O2A | PA | O3A | 111.8° | 109.5° |
O1A | PA | O3A | 116.3° | 109.5° |
PA | O1A | HO1A | 109.5° | 114.0° |
PA | O3A | HO3A | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O1P | P | O5 | O3P | 119.1° | 120.0° |
O1P | P | O5 | O2P | 121.1° | 120.0° |
O1P | P | O3P | O2P | 128.0° | 120.0° |
O1P | P | O5 | C5 | 63.5° | 55.0° |
O1P | P | O2P | HO2P | 0.0° | 180.0° |
O1P | P | O3P | HO3P | 0.0° | 60.0° |
O5 | P | O3P | O2P | 116.8° | 120.0° |
P | O5 | C5 | C4 | 150.3° | 180.0° |
P | O5 | C5 | H51 | 89.7° | 60.0° |
P | O5 | C5 | H52 | 30.3° | 60.0° |
O5 | P | O2P | HO2P | 116.0° | 59.9° |
O5 | P | O3P | HO3P | 115.2° | 180.0° |
O3P | P | O5 | C5 | 55.6° | 175.0° |
O3P | P | O2P | HO2P | 127.0° | 60.1° |
O2P | P | O5 | C5 | 175.5° | 65.0° |
O2P | P | O3P | HO3P | 128.0° | 60.0° |
C2 | C1 | O1 | O4 | 119.5° | 118.1° |
C2 | C1 | O1 | H1 | 118.6° | 121.0° |
C2 | C1 | O4 | H1 | 118.7° | 119.5° |
C2 | C1 | O1 | PA | 142.4° | 150.4° |
C1 | C2 | O2 | C3 | 110.5° | 112.9° |
C1 | C2 | O2 | H2 | 125.8° | 123.6° |
C1 | C2 | C3 | H2 | 125.0° | 118.2° |
C1 | C2 | O2 | HO2 | 180.0° | 61.4° |
C1 | C2 | C3 | O3 | 166.3° | 152.1° |
C1 | C2 | C3 | C4 | 45.0° | 34.2° |
C1 | C2 | C3 | H3 | 78.1° | 83.8° |
C2 | C1 | O4 | C4 | 7.1° | 1.7° |
O1 | C1 | O4 | H1 | 118.7° | 120.9° |
O1 | C1 | C2 | O2 | 34.6° | 22.7° |
O1 | C1 | C2 | C3 | 154.0° | 140.9° |
O1 | C1 | C2 | H2 | 83.4° | 100.9° |
O1 | C1 | O4 | C4 | 129.8° | 117.9° |
C1 | O1 | PA | O2A | 166.7° | 55.0° |
C1 | O1 | PA | O1A | 50.2° | 65.0° |
C1 | O1 | PA | O3A | 75.9° | 175.0° |
O4 | C1 | O1 | PA | 98.1° | 91.5° |
O4 | C1 | C2 | O2 | 84.9° | 96.8° |
O4 | C1 | C2 | C3 | 34.5° | 21.4° |
O4 | C1 | C2 | H2 | 157.1° | 139.6° |
C1 | O4 | C4 | C3 | 22.3° | 24.4° |
C1 | O4 | C4 | C5 | 143.8° | 143.3° |
C1 | O4 | C4 | H4 | 98.6° | 94.5° |
H1 | C1 | O1 | PA | 23.7° | 29.5° |
H1 | C1 | C2 | O2 | 153.2° | 143.7° |
H1 | C1 | C2 | C3 | 87.3° | 98.1° |
H1 | C1 | C2 | H2 | 35.3° | 20.1° |
H1 | C1 | O4 | C4 | 111.6° | 121.2° |
O1 | PA | O2A | O1A | 113.0° | 120.0° |
O1 | PA | O2A | O3A | 114.9° | 120.0° |
O1 | PA | O1A | O3A | 121.3° | 120.0° |
O1 | PA | O1A | HO1A | 109.0° | 60.0° |
O1 | PA | O3A | HO3A | 110.1° | 180.0° |
O2 | C2 | C3 | H2 | 118.3° | 123.6° |
O2 | C2 | C3 | O3 | 49.6° | 33.8° |
O2 | C2 | C3 | C4 | 71.6° | 84.1° |
O2 | C2 | C3 | H3 | 165.3° | 158.0° |
C3 | C2 | O2 | HO2 | 69.5° | 174.3° |
C2 | C3 | O3 | C4 | 112.5° | 111.6° |
C2 | C3 | O3 | H3 | 123.9° | 124.2° |
C2 | C3 | C4 | H3 | 123.5° | 118.0° |
C2 | C3 | O3 | HO3 | 180.0° | 61.4° |
C2 | C3 | C4 | O4 | 44.0° | 36.4° |
C2 | C3 | C4 | C5 | 165.3° | 155.3° |
C2 | C3 | C4 | H4 | 77.1° | 82.5° |
H2 | C2 | O2 | HO2 | 54.2° | 62.2° |
H2 | C2 | C3 | O3 | 68.7° | 89.7° |
H2 | C2 | C3 | C4 | 170.1° | 152.3° |
H2 | C2 | C3 | H3 | 46.9° | 34.4° |
O3 | C3 | C4 | H3 | 115.6° | 124.1° |
O3 | C3 | C4 | O4 | 164.9° | 154.4° |
O3 | C3 | C4 | C5 | 73.8° | 86.7° |
O3 | C3 | C4 | H4 | 43.8° | 35.5° |
C4 | C3 | O3 | HO3 | 67.5° | 173.0° |
C3 | C4 | O4 | C5 | 121.5° | 118.9° |
C3 | C4 | O4 | H4 | 120.9° | 118.9° |
C3 | C4 | C5 | H4 | 120.8° | 122.2° |
C3 | C4 | C5 | O5 | 55.9° | 175.0° |
C3 | C4 | C5 | H51 | 175.9° | 55.0° |
C3 | C4 | C5 | H52 | 64.1° | 65.0° |
H3 | C3 | O3 | HO3 | 56.1° | 62.8° |
H3 | C3 | C4 | O4 | 79.5° | 81.5° |
H3 | C3 | C4 | C5 | 41.8° | 37.4° |
H3 | C3 | C4 | H4 | 159.5° | 159.6° |
O4 | C4 | C5 | H4 | 121.0° | 122.1° |
O4 | C4 | C5 | O5 | 62.2° | 69.3° |
O4 | C4 | C5 | H51 | 57.8° | 170.7° |
O4 | C4 | C5 | H52 | 177.8° | 50.7° |
C4 | C5 | O5 | H51 | 120.0° | 120.0° |
C4 | C5 | O5 | H52 | 120.0° | 120.0° |
C4 | C5 | H51 | H52 | 120.0° | 120.0° |
H4 | C4 | C5 | O5 | 176.7° | 52.8° |
H4 | C4 | C5 | H51 | 63.3° | 67.2° |
H4 | C4 | C5 | H52 | 56.8° | 172.8° |
O5 | C5 | H51 | H52 | 120.0° | 120.0° |
O2A | PA | O1A | O3A | 129.7° | 120.0° |
O2A | PA | O1A | HO1A | 0.0° | 180.0° |
O2A | PA | O3A | HO3A | 0.0° | 60.0° |
O1A | PA | O3A | HO3A | 129.5° | 60.0° |
O3A | PA | O1A | HO1A | 129.7° | 59.9° |