F3P
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C1 | C2 | sing | 1.52Å | 1.41Å | |
C1 | H11 | sing | 1.09Å | 1.10Å | |
C1 | H12 | sing | 1.09Å | 1.10Å | |
C1 | H13 | sing | 1.09Å | 1.10Å | |
C2 | F | sing | 1.37Å | 1.36Å | |
C2 | C3 | sing | 1.54Å | 1.59Å | |
C2 | H2 | sing | 1.09Å | 1.10Å | |
C3 | C4 | sing | 1.55Å | 1.57Å | |
C3 | C10 | sing | 1.53Å | 1.42Å | |
C3 | O1 | sing | 1.44Å | 1.44Å | |
C4 | C5 | sing | 1.53Å | 1.53Å | |
C4 | H41 | sing | 1.10Å | 1.10Å | |
C4 | H42 | sing | 1.10Å | 1.10Å | |
C5 | C6 | sing | 1.53Å | 1.51Å | |
C5 | H51 | sing | 1.09Å | 1.10Å | |
C5 | H52 | sing | 1.10Å | 1.10Å | |
C6 | C7 | sing | 1.54Å | 1.39Å | |
C6 | H61 | sing | 1.10Å | 1.10Å | |
C6 | H62 | sing | 1.10Å | 1.10Å | |
C7 | C8 | sing | 1.53Å | 1.53Å | |
C7 | C9 | sing | 1.53Å | 1.43Å | |
C7 | H7 | sing | 1.10Å | 1.10Å | |
C8 | H81 | sing | 1.09Å | 1.10Å | |
C8 | H82 | sing | 1.10Å | 1.10Å | |
C8 | H83 | sing | 1.10Å | 1.10Å | |
C9 | H91 | sing | 1.10Å | 1.10Å | |
C9 | H92 | sing | 1.10Å | 1.10Å | |
C9 | H93 | sing | 1.10Å | 1.10Å | |
C10 | H101 | sing | 1.10Å | 1.10Å | |
C10 | H102 | sing | 1.09Å | 1.10Å | |
C10 | H103 | sing | 1.10Å | 1.10Å | |
O1 | PA | sing | 1.61Å | 1.62Å | |
PA | O3A | sing | 1.62Å | 1.61Å | |
PA | O1A | doub | 1.50Å | 1.62Å | |
PA | O2A | sing | 1.62Å | 1.48Å | |
O2A | HO2A | sing | 0.98Å | 0.95Å | |
O3A | PB | sing | 1.62Å | 1.61Å | |
PB | O1B | doub | 1.50Å | 1.48Å | |
PB | O2B | sing | 1.62Å | 1.62Å | |
PB | O3B | sing | 1.62Å | 1.63Å | |
O2B | HO2B | sing | 0.98Å | 0.95Å | |
O3B | HO3B | sing | 0.98Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C2 | C1 | H11 | 109.5° | 111.4° |
C2 | C1 | H12 | 109.4° | 111.9° |
C2 | C1 | H13 | 109.4° | 109.7° |
C1 | C2 | F | 125.2° | 106.9° |
C1 | C2 | C3 | 113.4° | 115.0° |
C1 | C2 | H2 | 104.7° | 108.8° |
H11 | C1 | H12 | 109.5° | 108.9° |
H11 | C1 | H13 | 109.5° | 106.6° |
H12 | C1 | H13 | 109.5° | 108.1° |
F | C2 | C3 | 121.4° | 108.2° |
F | C2 | H2 | 20.5° | 106.9° |
C3 | C2 | H2 | 141.8° | 110.7° |
C2 | C3 | C4 | 109.3° | 112.2° |
C2 | C3 | C10 | 108.3° | 111.5° |
C2 | C3 | O1 | 105.0° | 108.6° |
C4 | C3 | C10 | 111.5° | 111.2° |
C4 | C3 | O1 | 107.5° | 106.7° |
C3 | C4 | C5 | 113.8° | 115.5° |
C3 | C4 | H41 | 108.1° | 108.7° |
C3 | C4 | H42 | 107.0° | 109.0° |
C10 | C3 | O1 | 114.9° | 106.3° |
C3 | C10 | H101 | 109.5° | 111.3° |
C3 | C10 | H102 | 109.5° | 112.1° |
C3 | C10 | H103 | 109.4° | 110.7° |
C3 | O1 | PA | 125.8° | 119.4° |
C5 | C4 | H41 | 108.0° | 109.2° |
C5 | C4 | H42 | 107.0° | 109.2° |
C4 | C5 | C6 | 111.2° | 111.0° |
C4 | C5 | H51 | 108.9° | 109.5° |
C4 | C5 | H52 | 108.5° | 110.1° |
H41 | C4 | H42 | 112.9° | 104.7° |
C6 | C5 | H51 | 108.9° | 109.5° |
C6 | C5 | H52 | 108.5° | 109.1° |
C5 | C6 | C7 | 126.9° | 113.5° |
C5 | C6 | H61 | 104.0° | 108.7° |
C5 | C6 | H62 | 100.0° | 109.3° |
H51 | C5 | H52 | 110.8° | 107.7° |
C7 | C6 | H61 | 104.0° | 108.7° |
C7 | C6 | H62 | 99.9° | 109.8° |
C6 | C7 | C8 | 118.9° | 112.5° |
C6 | C7 | C9 | 121.3° | 109.8° |
C6 | C7 | H7 | 82.5° | 108.7° |
H61 | C6 | H62 | 124.4° | 106.6° |
C8 | C7 | C9 | 119.8° | 109.7° |
C8 | C7 | H7 | 146.2° | 108.3° |
C7 | C8 | H81 | 109.5° | 111.4° |
C7 | C8 | H82 | 109.4° | 111.3° |
C7 | C8 | H83 | 109.4° | 110.8° |
C9 | C7 | H7 | 47.4° | 107.8° |
C7 | C9 | H91 | 109.5° | 110.8° |
C7 | C9 | H92 | 109.5° | 111.3° |
C7 | C9 | H93 | 109.4° | 110.8° |
H81 | C8 | H82 | 109.5° | 108.2° |
H81 | C8 | H83 | 109.5° | 107.1° |
H82 | C8 | H83 | 109.5° | 107.9° |
H91 | C9 | H92 | 109.5° | 108.1° |
H91 | C9 | H93 | 109.4° | 107.7° |
H92 | C9 | H93 | 109.5° | 108.0° |
H101 | C10 | H102 | 109.5° | 108.3° |
H101 | C10 | H103 | 109.4° | 105.8° |
H102 | C10 | H103 | 109.5° | 108.4° |
O1 | PA | O3A | 107.5° | 104.9° |
O1 | PA | O1A | 106.7° | 114.2° |
O1 | PA | O2A | 112.5° | 104.7° |
O3A | PA | O1A | 105.7° | 114.2° |
O3A | PA | O2A | 112.1° | 103.2° |
PA | O3A | PB | 122.1° | 131.0° |
O1A | PA | O2A | 111.9° | 114.3° |
PA | O2A | HO2A | 109.5° | 118.9° |
O3A | PB | O1B | 111.5° | 114.7° |
O3A | PB | O2B | 106.8° | 103.1° |
O3A | PB | O3B | 106.2° | 103.3° |
O1B | PB | O2B | 113.4° | 115.2° |
O1B | PB | O3B | 111.5° | 115.3° |
O2B | PB | O3B | 107.0° | 103.5° |
PB | O2B | HO2B | 109.5° | 119.0° |
PB | O3B | HO3B | 109.5° | 119.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C2 | C1 | H11 | H12 | 120.0° | 123.9° |
C2 | C1 | H11 | H13 | 120.0° | 119.6° |
C2 | C1 | H12 | H13 | 120.0° | 121.0° |
C1 | C2 | F | C3 | 179.9° | 124.4° |
C1 | C2 | F | H2 | 3.1° | 116.4° |
C1 | C2 | C3 | H2 | 178.4° | 123.8° |
C1 | C2 | C3 | C4 | 24.2° | 65.5° |
C1 | C2 | C3 | C10 | 145.9° | 60.0° |
C1 | C2 | C3 | O1 | 90.9° | 176.7° |
H11 | C1 | H12 | H13 | 120.0° | 115.5° |
H11 | C1 | C2 | F | 96.5° | 61.4° |
H11 | C1 | C2 | C3 | 83.6° | 58.7° |
H11 | C1 | C2 | H2 | 95.3° | 176.5° |
H12 | C1 | C2 | F | 23.5° | 176.4° |
H12 | C1 | C2 | C3 | 156.3° | 63.5° |
H12 | C1 | C2 | H2 | 24.7° | 61.3° |
H13 | C1 | C2 | F | 143.5° | 56.4° |
H13 | C1 | C2 | C3 | 36.4° | 176.5° |
H13 | C1 | C2 | H2 | 144.7° | 58.7° |
F | C2 | C3 | H2 | 1.7° | 116.8° |
F | C2 | C3 | C4 | 155.7° | 175.1° |
F | C2 | C3 | C10 | 34.0° | 59.4° |
F | C2 | C3 | O1 | 89.3° | 57.4° |
C2 | C3 | C4 | C10 | 119.8° | 125.7° |
C2 | C3 | C4 | O1 | 113.4° | 118.8° |
C2 | C3 | C10 | O1 | 117.0° | 118.2° |
C2 | C3 | C4 | C5 | 71.3° | 177.5° |
C2 | C3 | C4 | H41 | 48.7° | 54.3° |
C2 | C3 | C4 | H42 | 170.6° | 59.2° |
C2 | C3 | C10 | H101 | 69.8° | 66.9° |
C2 | C3 | C10 | H102 | 50.2° | 54.5° |
C2 | C3 | C10 | H103 | 170.2° | 175.7° |
C2 | C3 | O1 | PA | 169.8° | 59.9° |
H2 | C2 | C3 | C4 | 157.4° | 58.2° |
H2 | C2 | C3 | C10 | 35.7° | 176.3° |
H2 | C2 | C3 | O1 | 87.5° | 59.5° |
C4 | C3 | C10 | O1 | 122.7° | 115.8° |
C3 | C4 | C5 | H41 | 120.0° | 122.9° |
C3 | C4 | C5 | H42 | 118.1° | 123.2° |
C3 | C4 | H41 | H42 | 118.2° | 116.4° |
C3 | C4 | C5 | C6 | 84.9° | 177.2° |
C3 | C4 | C5 | H51 | 155.1° | 56.2° |
C3 | C4 | C5 | H52 | 34.4° | 62.0° |
C4 | C3 | C10 | H101 | 50.5° | 167.0° |
C4 | C3 | C10 | H102 | 170.5° | 71.6° |
C4 | C3 | C10 | H103 | 69.4° | 49.6° |
C4 | C3 | O1 | PA | 73.9° | 61.2° |
C10 | C3 | C4 | C5 | 48.5° | 56.8° |
C10 | C3 | C4 | H41 | 168.5° | 180.0° |
C10 | C3 | C4 | H42 | 69.6° | 66.5° |
C3 | C10 | H101 | H102 | 120.0° | 123.6° |
C3 | C10 | H101 | H103 | 120.0° | 120.3° |
C3 | C10 | H102 | H103 | 120.0° | 122.5° |
C10 | C3 | O1 | PA | 50.9° | 180.0° |
O1 | C3 | C4 | C5 | 175.3° | 58.7° |
O1 | C3 | C4 | H41 | 64.7° | 64.5° |
O1 | C3 | C4 | H42 | 57.2° | 178.0° |
O1 | C3 | C10 | H101 | 173.2° | 51.2° |
O1 | C3 | C10 | H102 | 66.8° | 172.7° |
O1 | C3 | C10 | H103 | 53.2° | 66.1° |
C3 | O1 | PA | O3A | 55.9° | 65.8° |
C3 | O1 | PA | O1A | 57.1° | 60.0° |
C3 | O1 | PA | O2A | 179.8° | 174.1° |
C5 | C4 | H41 | H42 | 118.2° | 116.8° |
C4 | C5 | C6 | H51 | 120.0° | 121.0° |
C4 | C5 | C6 | H52 | 119.3° | 121.4° |
C4 | C5 | H51 | H52 | 119.3° | 119.7° |
C4 | C5 | C6 | C7 | 99.4° | 178.9° |
C4 | C5 | C6 | H61 | 20.6° | 59.9° |
C4 | C5 | C6 | H62 | 150.0° | 56.0° |
H41 | C4 | C5 | C6 | 35.1° | 60.0° |
H41 | C4 | C5 | H51 | 84.9° | 179.0° |
H41 | C4 | C5 | H52 | 154.4° | 60.9° |
H42 | C4 | C5 | C6 | 157.0° | 53.9° |
H42 | C4 | C5 | H51 | 37.0° | 67.0° |
H42 | C4 | C5 | H52 | 83.7° | 174.8° |
C6 | C5 | H51 | H52 | 119.3° | 118.5° |
C5 | C6 | C7 | H61 | 120.0° | 121.1° |
C5 | C6 | C7 | H62 | 110.6° | 122.7° |
C5 | C6 | H61 | H62 | 112.8° | 117.7° |
C5 | C6 | C7 | C8 | 179.8° | 59.0° |
C5 | C6 | C7 | C9 | 0.5° | 178.6° |
C5 | C6 | C7 | H7 | 28.1° | 60.9° |
H51 | C5 | C6 | C7 | 140.6° | 58.0° |
H51 | C5 | C6 | H61 | 99.4° | 179.1° |
H51 | C5 | C6 | H62 | 30.0° | 65.0° |
H52 | C5 | C6 | C7 | 19.9° | 59.6° |
H52 | C5 | C6 | H61 | 139.9° | 61.5° |
H52 | C5 | C6 | H62 | 90.7° | 177.4° |
C7 | C6 | H61 | H62 | 112.7° | 118.3° |
C6 | C7 | C8 | C9 | 179.3° | 122.5° |
C6 | C7 | C8 | H7 | 123.8° | 120.2° |
C6 | C7 | C9 | H7 | 40.0° | 118.3° |
C6 | C7 | C8 | H81 | 63.2° | 64.9° |
C6 | C7 | C8 | H82 | 176.8° | 55.9° |
C6 | C7 | C8 | H83 | 56.8° | 176.0° |
C6 | C7 | C9 | H91 | 114.4° | 58.4° |
C6 | C7 | C9 | H92 | 125.6° | 61.9° |
C6 | C7 | C9 | H93 | 5.6° | 177.8° |
H61 | C6 | C7 | C8 | 60.2° | 180.0° |
H61 | C6 | C7 | C9 | 120.5° | 57.5° |
H61 | C6 | C7 | H7 | 92.0° | 60.1° |
H62 | C6 | C7 | C8 | 69.2° | 63.7° |
H62 | C6 | C7 | C9 | 110.1° | 58.7° |
H62 | C6 | C7 | H7 | 138.6° | 176.4° |
C8 | C7 | C9 | H7 | 140.7° | 117.7° |
C7 | C8 | H81 | H82 | 120.0° | 122.7° |
C7 | C8 | H81 | H83 | 120.0° | 121.3° |
C7 | C8 | H82 | H83 | 120.0° | 121.7° |
C8 | C7 | C9 | H91 | 64.9° | 177.5° |
C8 | C7 | C9 | H92 | 55.1° | 62.1° |
C8 | C7 | C9 | H93 | 175.1° | 58.1° |
C9 | C7 | C8 | H81 | 117.5° | 172.6° |
C9 | C7 | C8 | H82 | 2.5° | 66.5° |
C9 | C7 | C8 | H83 | 122.5° | 53.5° |
C7 | C9 | H91 | H92 | 120.0° | 122.2° |
C7 | C9 | H91 | H93 | 120.0° | 121.3° |
C7 | C9 | H92 | H93 | 120.0° | 121.8° |
H7 | C7 | C8 | H81 | 60.6° | 55.2° |
H7 | C7 | C8 | H82 | 59.4° | 176.1° |
H7 | C7 | C8 | H83 | 179.4° | 63.9° |
H7 | C7 | C9 | H91 | 154.4° | 59.9° |
H7 | C7 | C9 | H92 | 85.6° | 179.8° |
H7 | C7 | C9 | H93 | 34.4° | 59.6° |
H81 | C8 | H82 | H83 | 120.0° | 115.5° |
H91 | C9 | H92 | H93 | 120.0° | 116.3° |
H101 | C10 | H102 | H103 | 120.0° | 114.3° |
O1 | PA | O3A | O1A | 113.6° | 125.8° |
O1 | PA | O3A | O2A | 124.1° | 109.5° |
O1 | PA | O1A | O2A | 123.4° | 120.6° |
O1 | PA | O2A | HO2A | 127.1° | 79.9° |
O1 | PA | O3A | PB | 159.5° | 174.2° |
O3A | PA | O1A | O2A | 122.4° | 118.6° |
O3A | PA | O2A | HO2A | 111.6° | 170.6° |
PA | O3A | PB | O1B | 141.6° | 60.0° |
PA | O3A | PB | O2B | 17.2° | 66.1° |
PA | O3A | PB | O3B | 96.8° | 173.7° |
O1A | PA | O2A | HO2A | 7.0° | 45.9° |
O1A | PA | O3A | PB | 45.9° | 60.0° |
O2A | PA | O3A | PB | 76.4° | 64.7° |
O3A | PB | O1B | O2B | 120.6° | 119.5° |
O3A | PB | O1B | O3B | 118.5° | 119.9° |
O3A | PB | O2B | O3B | 113.4° | 107.4° |
O3A | PB | O2B | HO2B | 91.6° | 174.1° |
O3A | PB | O3B | HO3B | 132.4° | 174.9° |
O1B | PB | O2B | O3B | 123.4° | 126.8° |
O1B | PB | O2B | HO2B | 31.6° | 48.3° |
O1B | PB | O3B | HO3B | 10.8° | 48.9° |
O2B | PB | O3B | HO3B | 113.7° | 77.9° |
O3B | PB | O2B | HO2B | 155.0° | 78.5° |