CF5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1P | P | doub | 1.48Å | 1.63Å | |
| P | O3P | sing | 1.61Å | 1.84Å | |
| P | O2P | sing | 1.61Å | 1.85Å | |
| P | O5S | sing | 1.61Å | 1.61Å | |
| O3P | H3P | sing | 0.97Å | 0.95Å | |
| O2P | H2P | sing | 0.97Å | 0.95Å | |
| O5S | C5S | sing | 1.43Å | 1.43Å | |
| C5S | C4S | sing | 1.53Å | 1.51Å | |
| C5S | H5S1 | sing | 1.09Å | 1.11Å | |
| C5S | H5S2 | sing | 1.09Å | 1.11Å | |
| C4S | C3S | sing | 1.54Å | 1.53Å | |
| C4S | O4S | sing | 1.44Å | 1.46Å | |
| C4S | H4S | sing | 1.09Å | 1.12Å | |
| C3S | O3S | sing | 1.43Å | 1.41Å | |
| C3S | C2S | sing | 1.55Å | 1.51Å | |
| C3S | H3S | sing | 1.09Å | 1.11Å | |
| O3S | H1 | sing | 0.97Å | 0.95Å | |
| O4S | C1S | sing | 1.44Å | 1.43Å | |
| C1S | C2S | sing | 1.54Å | 1.50Å | |
| C1S | N3 | sing | 1.47Å | 1.48Å | |
| C1S | H1S | sing | 1.09Å | 1.12Å | |
| C2S | O2S | sing | 1.43Å | 1.41Å | |
| C2S | H2S | sing | 1.09Å | 1.11Å | |
| O2S | H3 | sing | 0.97Å | 0.95Å | |
| N3 | C2 | sing | 1.36Å | 1.37Å | Aromatic |
| N3 | C10 | sing | 1.39Å | 1.34Å | Aromatic |
| C2 | N1 | doub | 1.30Å | 1.35Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C10 | N4 | sing | 1.35Å | 1.41Å | |
| C10 | C9 | doub | 1.35Å | 1.43Å | Aromatic |
| N4 | C5 | doub | 1.28Å | 1.25Å | |
| C5 | N6 | sing | 1.35Å | 1.30Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| N6 | C7 | sing | 1.45Å | 1.41Å | |
| N6 | HN6 | sing | 0.97Å | 1.02Å | |
| C7 | C8 | sing | 1.52Å | 1.51Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | C9 | sing | 1.50Å | 1.37Å | |
| C8 | O8 | sing | 1.43Å | 1.49Å | |
| C8 | H8 | sing | 1.09Å | 1.11Å | |
| C9 | N1 | sing | 1.35Å | 1.32Å | Aromatic |
| O8 | HO8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | O3P | 109.7° | 109.4° |
| O1P | P | O2P | 105.0° | 109.5° |
| O1P | P | O5S | 109.4° | 109.5° |
| O3P | P | O2P | 117.2° | 109.5° |
| O3P | P | O5S | 105.7° | 109.5° |
| P | O3P | H3P | 109.7° | 106.8° |
| O2P | P | O5S | 109.8° | 109.5° |
| P | O2P | H2P | 105.0° | 106.8° |
| P | O5S | C5S | 121.7° | 106.8° |
| O5S | C5S | C4S | 109.9° | 109.5° |
| O5S | C5S | H5S1 | 112.0° | 109.5° |
| O5S | C5S | H5S2 | 112.0° | 109.5° |
| C4S | C5S | H5S1 | 112.0° | 109.4° |
| C4S | C5S | H5S2 | 112.0° | 109.5° |
| C5S | C4S | C3S | 112.4° | 110.4° |
| C5S | C4S | O4S | 113.5° | 110.3° |
| C5S | C4S | H4S | 103.7° | 110.3° |
| H5S1 | C5S | H5S2 | 98.4° | 109.5° |
| C3S | C4S | O4S | 106.6° | 104.8° |
| C3S | C4S | H4S | 110.9° | 110.4° |
| C4S | C3S | O3S | 109.7° | 110.5° |
| C4S | C3S | C2S | 103.8° | 104.1° |
| C4S | C3S | H3S | 114.6° | 110.5° |
| O4S | C4S | H4S | 109.8° | 110.4° |
| C4S | O4S | C1S | 113.3° | 105.2° |
| O3S | C3S | C2S | 113.8° | 110.5° |
| O3S | C3S | H3S | 104.7° | 110.5° |
| C3S | O3S | H1 | 109.7° | 106.8° |
| C2S | C3S | H3S | 110.6° | 110.6° |
| C3S | C2S | C1S | 110.8° | 104.0° |
| C3S | C2S | O2S | 110.5° | 110.5° |
| C3S | C2S | H2S | 107.7° | 110.5° |
| O4S | C1S | C2S | 104.1° | 104.9° |
| O4S | C1S | N3 | 115.8° | 110.3° |
| O4S | C1S | H1S | 106.5° | 110.4° |
| C2S | C1S | N3 | 100.4° | 110.4° |
| C2S | C1S | H1S | 120.6° | 110.4° |
| C1S | C2S | O2S | 108.9° | 110.8° |
| C1S | C2S | H2S | 109.3° | 110.5° |
| N3 | C1S | H1S | 109.9° | 110.3° |
| C1S | N3 | C2 | 129.2° | 126.4° |
| C1S | N3 | C10 | 127.6° | 126.4° |
| O2S | C2S | H2S | 109.7° | 110.4° |
| C2S | O2S | H3 | 110.5° | 106.8° |
| C2 | N3 | C10 | 103.2° | 107.2° |
| N3 | C2 | N1 | 113.2° | 108.7° |
| N3 | C2 | H2 | 123.8° | 125.6° |
| N3 | C10 | N4 | 130.2° | 122.9° |
| N3 | C10 | C9 | 110.5° | 106.3° |
| N1 | C2 | H2 | 123.0° | 125.7° |
| C2 | N1 | C9 | 107.0° | 109.7° |
| N4 | C10 | C9 | 119.3° | 130.8° |
| C10 | N4 | C5 | 126.9° | 129.3° |
| C10 | C9 | C8 | 119.3° | 128.6° |
| C10 | C9 | N1 | 106.2° | 108.1° |
| N4 | C5 | N6 | 125.3° | 126.5° |
| N4 | C5 | H5 | 115.1° | 116.7° |
| N6 | C5 | H5 | 119.5° | 116.8° |
| C5 | N6 | C7 | 128.2° | 124.3° |
| C5 | N6 | HN6 | 105.6° | 117.8° |
| C7 | N6 | HN6 | 105.7° | 117.9° |
| N6 | C7 | C8 | 112.1° | 111.4° |
| N6 | C7 | H71 | 111.2° | 109.1° |
| N6 | C7 | H72 | 111.2° | 109.1° |
| C8 | C7 | H71 | 111.2° | 109.1° |
| C8 | C7 | H72 | 111.2° | 109.1° |
| C7 | C8 | C9 | 109.3° | 111.7° |
| C7 | C8 | O8 | 109.6° | 109.0° |
| C7 | C8 | H8 | 108.2° | 109.0° |
| H71 | C7 | H72 | 99.2° | 109.0° |
| C9 | C8 | O8 | 105.4° | 109.0° |
| C9 | C8 | H8 | 112.2° | 109.0° |
| C8 | C9 | N1 | 134.5° | 123.3° |
| O8 | C8 | H8 | 112.0° | 109.0° |
| C8 | O8 | HO8 | 109.6° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | O3P | O2P | 119.5° | 120.0° |
| O1P | P | O3P | O5S | 117.8° | 120.0° |
| O1P | P | O2P | O5S | 117.4° | 120.0° |
| O1P | P | O3P | H3P | 180.0° | 180.0° |
| O1P | P | O2P | H2P | 180.0° | 60.0° |
| O1P | P | O5S | C5S | 119.7° | 55.0° |
| O3P | P | O2P | O5S | 120.6° | 120.0° |
| O3P | P | O2P | H2P | 58.0° | 59.9° |
| O3P | P | O5S | C5S | 1.7° | 65.0° |
| O2P | P | O3P | H3P | 60.5° | 60.0° |
| O2P | P | O5S | C5S | 125.6° | 175.0° |
| O5S | P | O3P | H3P | 62.2° | 60.0° |
| O5S | P | O2P | H2P | 62.5° | 179.9° |
| P | O5S | C5S | C4S | 160.5° | 180.0° |
| P | O5S | C5S | H5S1 | 35.3° | 60.0° |
| P | O5S | C5S | H5S2 | 74.2° | 60.0° |
| O5S | C5S | C4S | H5S1 | 125.2° | 120.0° |
| O5S | C5S | C4S | H5S2 | 125.3° | 120.0° |
| O5S | C5S | H5S1 | H5S2 | 118.0° | 120.0° |
| O5S | C5S | C4S | C3S | 124.7° | 178.1° |
| O5S | C5S | C4S | O4S | 114.2° | 66.5° |
| O5S | C5S | C4S | H4S | 4.9° | 55.8° |
| C4S | C5S | H5S1 | H5S2 | 118.0° | 120.0° |
| C5S | C4S | C3S | O4S | 125.0° | 118.8° |
| C5S | C4S | C3S | H4S | 115.5° | 122.3° |
| C5S | C4S | O4S | H4S | 115.5° | 122.2° |
| C5S | C4S | C3S | O3S | 114.6° | 98.4° |
| C5S | C4S | C3S | C2S | 123.4° | 142.9° |
| C5S | C4S | C3S | H3S | 2.8° | 24.2° |
| C5S | C4S | O4S | C1S | 115.6° | 159.4° |
| H5S1 | C5S | C4S | C3S | 110.1° | 58.1° |
| H5S1 | C5S | C4S | O4S | 11.0° | 173.5° |
| H5S1 | C5S | C4S | H4S | 130.1° | 64.2° |
| H5S2 | C5S | C4S | C3S | 0.6° | 61.9° |
| H5S2 | C5S | C4S | O4S | 120.5° | 53.5° |
| H5S2 | C5S | C4S | H4S | 120.4° | 175.8° |
| C3S | C4S | O4S | H4S | 120.2° | 118.9° |
| C4S | C3S | O3S | C2S | 115.8° | 114.6° |
| C4S | C3S | O3S | H3S | 123.4° | 122.7° |
| C4S | C3S | C2S | H3S | 123.3° | 118.7° |
| C4S | C3S | O3S | H1 | 180.0° | 180.0° |
| C3S | C4S | O4S | C1S | 8.7° | 40.6° |
| C4S | C3S | C2S | C1S | 5.6° | 0.1° |
| C4S | C3S | C2S | O2S | 115.2° | 118.8° |
| C4S | C3S | C2S | H2S | 125.1° | 118.7° |
| O4S | C4S | C3S | O3S | 120.4° | 142.8° |
| O4S | C4S | C3S | C2S | 1.5° | 24.1° |
| O4S | C4S | C3S | H3S | 122.2° | 94.6° |
| C4S | O4S | C1S | C2S | 11.9° | 40.5° |
| C4S | O4S | C1S | N3 | 97.3° | 159.4° |
| C4S | O4S | C1S | H1S | 140.3° | 78.4° |
| H4S | C4S | C3S | O3S | 0.9° | 23.9° |
| H4S | C4S | C3S | C2S | 121.0° | 94.8° |
| H4S | C4S | C3S | H3S | 118.3° | 146.5° |
| H4S | C4S | O4S | C1S | 128.9° | 78.3° |
| O3S | C3S | C2S | H3S | 117.5° | 122.6° |
| O3S | C3S | C2S | C1S | 124.8° | 118.8° |
| O3S | C3S | C2S | O2S | 4.0° | 0.2° |
| O3S | C3S | C2S | H2S | 115.7° | 122.7° |
| C2S | C3S | O3S | H1 | 64.2° | 65.4° |
| C3S | C2S | C1S | O4S | 10.6° | 23.9° |
| C3S | C2S | C1S | O2S | 121.7° | 118.8° |
| C3S | C2S | C1S | H2S | 118.5° | 118.6° |
| C3S | C2S | C1S | N3 | 109.6° | 142.7° |
| C3S | C2S | C1S | H1S | 129.8° | 95.0° |
| C3S | C2S | O2S | H2S | 118.5° | 122.6° |
| C3S | C2S | O2S | H3 | 180.0° | 61.4° |
| H3S | C3S | O3S | H1 | 56.6° | 57.3° |
| H3S | C3S | C2S | C1S | 117.7° | 118.6° |
| H3S | C3S | C2S | O2S | 121.5° | 122.5° |
| H3S | C3S | C2S | H2S | 1.8° | 0.0° |
| O4S | C1S | C2S | N3 | 120.1° | 118.8° |
| O4S | C1S | C2S | H1S | 119.2° | 118.9° |
| O4S | C1S | N3 | H1S | 120.7° | 122.2° |
| O4S | C1S | C2S | O2S | 111.1° | 142.6° |
| O4S | C1S | C2S | H2S | 129.1° | 94.7° |
| O4S | C1S | N3 | C2 | 0.9° | 22.0° |
| O4S | C1S | N3 | C10 | 179.6° | 158.0° |
| C2S | C1S | N3 | H1S | 128.0° | 122.3° |
| C1S | C2S | O2S | H2S | 119.6° | 122.7° |
| C1S | C2S | O2S | H3 | 58.1° | 176.2° |
| C2S | C1S | N3 | C2 | 110.4° | 93.4° |
| C2S | C1S | N3 | C10 | 69.1° | 86.5° |
| N3 | C1S | C2S | O2S | 128.7° | 98.5° |
| N3 | C1S | C2S | H2S | 9.0° | 24.1° |
| C1S | N3 | C2 | C10 | 179.6° | 180.0° |
| C1S | N3 | C2 | N1 | 179.2° | 179.7° |
| C1S | N3 | C2 | H2 | 0.8° | 0.4° |
| C1S | N3 | C10 | N4 | 0.5° | 0.6° |
| C1S | N3 | C10 | C9 | 179.2° | 179.5° |
| H1S | C1S | C2S | O2S | 8.1° | 23.8° |
| H1S | C1S | C2S | H2S | 111.7° | 146.4° |
| H1S | C1S | N3 | C2 | 121.6° | 144.2° |
| H1S | C1S | N3 | C10 | 59.0° | 35.8° |
| H2S | C2S | O2S | H3 | 61.5° | 61.2° |
| N3 | C2 | N1 | H2 | 180.0° | 179.9° |
| C2 | N3 | C10 | N4 | 180.0° | 179.5° |
| C2 | N3 | C10 | C9 | 0.3° | 0.5° |
| N3 | C2 | N1 | C9 | 0.2° | 0.0° |
| C10 | N3 | C2 | N1 | 0.3° | 0.3° |
| C10 | N3 | C2 | H2 | 179.7° | 179.6° |
| N3 | C10 | N4 | C9 | 179.7° | 179.9° |
| N3 | C10 | N4 | C5 | 137.9° | 178.1° |
| N3 | C10 | C9 | C8 | 179.2° | 179.0° |
| N3 | C10 | C9 | N1 | 0.2° | 0.5° |
| C2 | N1 | C9 | C10 | 0.0° | 0.3° |
| C2 | N1 | C9 | C8 | 178.7° | 179.2° |
| H2 | C2 | N1 | C9 | 179.8° | 180.0° |
| C10 | N4 | C5 | N6 | 0.9° | 2.1° |
| C10 | N4 | C5 | H5 | 179.0° | 177.8° |
| N4 | C10 | C9 | C8 | 1.1° | 1.1° |
| N4 | C10 | C9 | N1 | 180.0° | 179.4° |
| C9 | C10 | N4 | C5 | 41.7° | 1.9° |
| C10 | C9 | C8 | C7 | 69.9° | 32.4° |
| C10 | C9 | C8 | N1 | 178.5° | 179.4° |
| C10 | C9 | C8 | O8 | 47.8° | 153.0° |
| C10 | C9 | C8 | H8 | 170.0° | 88.1° |
| N4 | C5 | N6 | H5 | 180.0° | 179.9° |
| N4 | C5 | N6 | C7 | 40.6° | 36.0° |
| N4 | C5 | N6 | HN6 | 165.9° | 144.0° |
| C5 | N6 | C7 | HN6 | 125.3° | 180.0° |
| C5 | N6 | C7 | C8 | 0.8° | 73.6° |
| C5 | N6 | C7 | H71 | 124.4° | 47.0° |
| C5 | N6 | C7 | H72 | 126.0° | 166.0° |
| H5 | C5 | N6 | C7 | 139.5° | 143.9° |
| H5 | C5 | N6 | HN6 | 14.2° | 36.1° |
| N6 | C7 | C8 | H71 | 125.2° | 120.5° |
| N6 | C7 | C8 | H72 | 125.2° | 120.5° |
| N6 | C7 | H71 | H72 | 117.1° | 119.1° |
| N6 | C7 | C8 | C9 | 70.6° | 65.9° |
| N6 | C7 | C8 | O8 | 44.5° | 173.6° |
| N6 | C7 | C8 | H8 | 166.9° | 54.7° |
| HN6 | N6 | C7 | C8 | 124.5° | 106.5° |
| HN6 | N6 | C7 | H71 | 110.3° | 133.0° |
| HN6 | N6 | C7 | H72 | 0.8° | 14.0° |
| C8 | C7 | H71 | H72 | 117.2° | 119.0° |
| C7 | C8 | C9 | O8 | 117.8° | 120.5° |
| C7 | C8 | C9 | H8 | 120.1° | 120.5° |
| C7 | C8 | O8 | H8 | 120.1° | 118.9° |
| C7 | C8 | C9 | N1 | 111.5° | 148.1° |
| C7 | C8 | O8 | HO8 | 180.0° | 58.9° |
| H71 | C7 | C8 | C9 | 54.6° | 54.7° |
| H71 | C7 | C8 | O8 | 169.7° | 65.9° |
| H71 | C7 | C8 | H8 | 67.9° | 175.2° |
| H72 | C7 | C8 | C9 | 164.1° | 173.7° |
| H72 | C7 | C8 | O8 | 80.8° | 53.1° |
| H72 | C7 | C8 | H8 | 41.6° | 65.8° |
| C9 | C8 | O8 | H8 | 122.3° | 118.9° |
| C9 | C8 | O8 | HO8 | 62.4° | 179.0° |
| O8 | C8 | C9 | N1 | 130.7° | 27.6° |
| H8 | C8 | C9 | N1 | 8.6° | 91.3° |
| H8 | C8 | O8 | HO8 | 59.9° | 60.0° |
