B16
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
P | O6 | sing | 1.61Å | 1.61Å | |
P | O1P | sing | 1.61Å | 1.53Å | |
P | O2P | sing | 1.61Å | 1.52Å | |
P | O3P | doub | 1.48Å | 1.51Å | |
P' | O1 | sing | 1.61Å | 1.61Å | |
P' | O1X | sing | 1.61Å | 1.51Å | |
P' | O2X | doub | 1.48Å | 1.49Å | |
P' | O3X | sing | 1.61Å | 1.49Å | |
C1 | O1 | sing | 1.43Å | 1.40Å | |
C1 | C2 | sing | 1.53Å | 1.51Å | |
C1 | O5 | sing | 1.43Å | 1.41Å | |
C2 | O2 | sing | 1.43Å | 1.42Å | |
C2 | C3 | sing | 1.53Å | 1.52Å | |
C3 | O3 | sing | 1.43Å | 1.43Å | |
C3 | C4 | sing | 1.53Å | 1.54Å | |
C4 | O4 | sing | 1.43Å | 1.43Å | |
C4 | C5 | sing | 1.53Å | 1.55Å | |
C5 | O5 | sing | 1.43Å | 1.43Å | |
C5 | C6 | sing | 1.53Å | 1.53Å | |
C6 | O6 | sing | 1.43Å | 1.42Å | |
C1 | H1 | sing | 1.09Å | 1.10Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
O2 | HO2 | sing | 0.97Å | 0.95Å | |
C3 | H3 | sing | 1.09Å | 1.10Å | |
O3 | HO3 | sing | 0.97Å | 0.95Å | |
C4 | H4 | sing | 1.09Å | 1.10Å | |
O4 | HO4 | sing | 0.97Å | 0.95Å | |
C5 | H5 | sing | 1.09Å | 1.10Å | |
C6 | H61 | sing | 1.09Å | 1.10Å | |
C6 | H62 | sing | 1.09Å | 1.10Å | |
O1P | HO1P | sing | 0.97Å | 0.95Å | |
O2P | HO2P | sing | 0.97Å | 0.95Å | |
O1X | HO1X | sing | 0.97Å | 0.95Å | |
O3X | HO3X | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O6 | P | O1P | 102.6° | 109.5° |
O6 | P | O2P | 103.9° | 109.5° |
O6 | P | O3P | 106.2° | 109.5° |
P | O6 | C6 | 124.6° | 123.0° |
O1P | P | O2P | 112.1° | 109.5° |
O1P | P | O3P | 116.6° | 109.4° |
P | O1P | HO1P | 109.5° | 114.0° |
O2P | P | O3P | 113.7° | 109.5° |
P | O2P | HO2P | 109.5° | 114.0° |
O1 | P' | O1X | 104.2° | 109.5° |
O1 | P' | O2X | 96.6° | 109.4° |
O1 | P' | O3X | 110.5° | 109.5° |
P' | O1 | C1 | 121.3° | 123.0° |
O1X | P' | O2X | 115.9° | 109.5° |
O1X | P' | O3X | 112.6° | 109.5° |
P' | O1X | HO1X | 109.5° | 114.0° |
O2X | P' | O3X | 115.2° | 109.5° |
P' | O3X | HO3X | 109.5° | 114.0° |
O1 | C1 | C2 | 111.2° | 109.5° |
O1 | C1 | O5 | 113.0° | 109.5° |
O1 | C1 | H1 | 109.3° | 109.5° |
C2 | C1 | O5 | 106.1° | 109.5° |
C1 | C2 | O2 | 109.4° | 109.6° |
C1 | C2 | C3 | 102.4° | 109.2° |
C2 | C1 | H1 | 107.9° | 109.4° |
C1 | C2 | H2 | 110.4° | 109.5° |
C1 | O5 | C5 | 109.6° | 114.1° |
O5 | C1 | H1 | 109.1° | 109.5° |
O2 | C2 | C3 | 112.4° | 109.6° |
O2 | C2 | H2 | 111.7° | 109.6° |
C2 | O2 | HO2 | 109.5° | 114.0° |
C2 | C3 | O3 | 110.5° | 109.5° |
C2 | C3 | C4 | 108.8° | 109.0° |
C3 | C2 | H2 | 110.2° | 109.5° |
C2 | C3 | H3 | 107.3° | 109.5° |
O3 | C3 | C4 | 114.6° | 109.6° |
O3 | C3 | H3 | 108.4° | 109.6° |
C3 | O3 | HO3 | 109.5° | 114.0° |
C3 | C4 | O4 | 107.3° | 109.5° |
C3 | C4 | C5 | 115.1° | 109.2° |
C4 | C3 | H3 | 107.0° | 109.6° |
C3 | C4 | H4 | 108.8° | 109.5° |
O4 | C4 | C5 | 106.6° | 109.5° |
O4 | C4 | H4 | 110.3° | 109.5° |
C4 | O4 | HO4 | 109.5° | 114.0° |
C4 | C5 | O5 | 112.0° | 109.4° |
C4 | C5 | C6 | 114.8° | 109.5° |
C5 | C4 | H4 | 108.7° | 109.6° |
C4 | C5 | H5 | 106.5° | 109.5° |
O5 | C5 | C6 | 108.5° | 109.5° |
O5 | C5 | H5 | 108.0° | 109.5° |
C5 | C6 | O6 | 108.9° | 109.5° |
C6 | C5 | H5 | 106.8° | 109.5° |
C5 | C6 | H61 | 109.6° | 109.4° |
C5 | C6 | H62 | 109.7° | 109.5° |
O6 | C6 | H61 | 109.6° | 109.5° |
O6 | C6 | H62 | 109.6° | 109.5° |
H61 | C6 | H62 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O6 | P | O1P | O2P | 110.9° | 120.0° |
O6 | P | O1P | O3P | 115.6° | 120.0° |
O6 | P | O2P | O3P | 115.0° | 120.0° |
P | O6 | C6 | C5 | 136.4° | 180.0° |
P | O6 | C6 | H61 | 103.7° | 60.0° |
P | O6 | C6 | H62 | 16.5° | 60.0° |
O6 | P | O1P | HO1P | 115.6° | 60.0° |
O6 | P | O2P | HO2P | 115.1° | 180.0° |
O1P | P | O2P | O3P | 134.9° | 120.0° |
O1P | P | O6 | C6 | 92.7° | 65.0° |
O1P | P | O2P | HO2P | 134.9° | 60.0° |
O2P | P | O6 | C6 | 150.4° | 175.0° |
O2P | P | O1P | HO1P | 133.5° | 60.0° |
O3P | P | O6 | C6 | 30.1° | 55.0° |
O3P | P | O1P | HO1P | 0.0° | 180.0° |
O3P | P | O2P | HO2P | 0.0° | 60.0° |
O1 | P' | O1X | O2X | 104.7° | 120.0° |
O1 | P' | O1X | O3X | 119.7° | 120.0° |
O1 | P' | O2X | O3X | 116.4° | 120.0° |
P' | O1 | C1 | C2 | 122.6° | 149.9° |
P' | O1 | C1 | O5 | 118.2° | 90.1° |
P' | O1 | C1 | H1 | 3.6° | 29.9° |
O1 | P' | O1X | HO1X | 104.7° | 60.0° |
O1 | P' | O3X | HO3X | 108.1° | 180.0° |
O1X | P' | O2X | O3X | 134.4° | 120.0° |
O1X | P' | O1 | C1 | 123.2° | 65.0° |
O1X | P' | O3X | HO3X | 135.9° | 60.0° |
O2X | P' | O1 | C1 | 117.9° | 55.0° |
O2X | P' | O1X | HO1X | 0.0° | 180.0° |
O2X | P' | O3X | HO3X | 0.0° | 60.0° |
O3X | P' | O1 | C1 | 2.1° | 175.0° |
O3X | P' | O1X | HO1X | 135.6° | 60.0° |
O1 | C1 | C2 | O5 | 123.2° | 120.0° |
O1 | C1 | C2 | H1 | 119.9° | 120.0° |
O1 | C1 | O5 | H1 | 121.9° | 120.0° |
O1 | C1 | C2 | O2 | 38.1° | 62.5° |
O1 | C1 | C2 | C3 | 157.5° | 177.6° |
O1 | C1 | O5 | C5 | 162.4° | 178.9° |
O1 | C1 | C2 | H2 | 85.2° | 57.7° |
C2 | C1 | O5 | H1 | 116.1° | 120.0° |
C1 | C2 | O2 | C3 | 113.0° | 119.7° |
C1 | C2 | O2 | H2 | 122.5° | 120.1° |
C1 | C2 | C3 | H2 | 117.4° | 119.8° |
C1 | C2 | C3 | O3 | 173.2° | 176.8° |
C1 | C2 | C3 | C4 | 60.2° | 56.9° |
C2 | C1 | O5 | C5 | 75.5° | 61.1° |
C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
C1 | C2 | C3 | H3 | 55.2° | 63.0° |
O5 | C1 | C2 | O2 | 161.3° | 177.5° |
O5 | C1 | C2 | C3 | 79.3° | 57.5° |
C1 | O5 | C5 | C4 | 51.1° | 61.1° |
C1 | O5 | C5 | C6 | 178.7° | 178.9° |
O5 | C1 | C2 | H2 | 38.0° | 62.3° |
C1 | O5 | C5 | H5 | 65.9° | 58.9° |
O2 | C2 | C3 | H2 | 125.3° | 120.2° |
O2 | C2 | C3 | O3 | 55.9° | 63.3° |
O2 | C2 | C3 | C4 | 177.5° | 176.9° |
O2 | C2 | C1 | H1 | 81.8° | 57.5° |
O2 | C2 | C3 | H3 | 62.1° | 57.0° |
C2 | C3 | O3 | C4 | 123.3° | 119.5° |
C2 | C3 | O3 | H3 | 117.3° | 120.2° |
C2 | C3 | C4 | H3 | 115.6° | 119.8° |
C2 | C3 | C4 | O4 | 160.3° | 176.8° |
C2 | C3 | C4 | C5 | 41.8° | 57.0° |
C3 | C2 | C1 | H1 | 37.6° | 62.5° |
C3 | C2 | O2 | HO2 | 66.9° | 179.7° |
C2 | C3 | O3 | HO3 | 180.0° | 60.0° |
C2 | C3 | C4 | H4 | 80.3° | 63.0° |
O3 | C3 | C4 | H3 | 120.2° | 120.3° |
O3 | C3 | C4 | O4 | 75.5° | 63.3° |
O3 | C3 | C4 | C5 | 166.1° | 176.9° |
O3 | C3 | C2 | H2 | 69.4° | 56.9° |
O3 | C3 | C4 | H4 | 43.9° | 56.8° |
C3 | C4 | O4 | C5 | 123.8° | 119.7° |
C3 | C4 | O4 | H4 | 118.4° | 120.1° |
C3 | C4 | C5 | H4 | 122.3° | 120.0° |
C3 | C4 | C5 | O5 | 35.6° | 57.6° |
C3 | C4 | C5 | C6 | 159.8° | 177.6° |
C4 | C3 | C2 | H2 | 57.2° | 62.9° |
C4 | C3 | O3 | HO3 | 56.7° | 179.6° |
C3 | C4 | O4 | HO4 | 180.0° | 60.0° |
C3 | C4 | C5 | H5 | 82.2° | 62.3° |
O4 | C4 | C5 | H4 | 118.9° | 120.2° |
O4 | C4 | C5 | O5 | 154.4° | 177.5° |
O4 | C4 | C5 | C6 | 81.3° | 62.5° |
O4 | C4 | C3 | H3 | 44.7° | 57.0° |
O4 | C4 | C5 | H5 | 36.6° | 57.5° |
C4 | C5 | O5 | C6 | 127.7° | 120.0° |
C4 | C5 | O5 | H5 | 116.9° | 120.0° |
C4 | C5 | C6 | H5 | 117.8° | 120.1° |
C4 | C5 | C6 | O6 | 69.4° | 175.0° |
C5 | C4 | C3 | H3 | 73.8° | 62.9° |
C5 | C4 | O4 | HO4 | 56.2° | 179.7° |
C4 | C5 | C6 | H61 | 170.7° | 55.0° |
C4 | C5 | C6 | H62 | 50.5° | 65.0° |
O5 | C5 | C6 | H5 | 116.2° | 120.0° |
O5 | C5 | C6 | O6 | 56.7° | 65.0° |
C5 | O5 | C1 | H1 | 40.5° | 58.9° |
O5 | C5 | C4 | H4 | 86.7° | 62.4° |
O5 | C5 | C6 | H61 | 63.2° | 174.9° |
O5 | C5 | C6 | H62 | 176.6° | 55.0° |
C5 | C6 | O6 | H61 | 119.9° | 120.0° |
C5 | C6 | O6 | H62 | 119.9° | 120.0° |
C6 | C5 | C4 | H4 | 37.6° | 57.6° |
C5 | C6 | H61 | H62 | 120.3° | 120.0° |
O6 | C6 | C5 | H5 | 172.8° | 55.0° |
O6 | C6 | H61 | H62 | 120.2° | 120.0° |
H1 | C1 | C2 | H2 | 154.9° | 177.7° |
H2 | C2 | O2 | HO2 | 57.5° | 60.1° |
H2 | C2 | C3 | H3 | 172.6° | 177.2° |
H3 | C3 | O3 | HO3 | 62.7° | 60.1° |
H3 | C3 | C4 | H4 | 164.1° | 177.1° |
H4 | C4 | O4 | HO4 | 61.6° | 60.1° |
H4 | C4 | C5 | H5 | 155.5° | 177.7° |
H5 | C5 | C6 | H61 | 53.0° | 65.1° |
H5 | C5 | C6 | H62 | 67.3° | 175.0° |