JF2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAF | CAE | sing | 1.53Å | 1.52Å | |
| CAF | CAM | sing | 1.53Å | 1.53Å | |
| CAC | CAM | sing | 1.53Å | 1.52Å | |
| CAE | CAH | sing | 1.53Å | 1.53Å | |
| CAM | CAO | sing | 1.53Å | 1.53Å | |
| CAH | NAN | sing | 1.47Å | 1.50Å | |
| CAO | CAD | sing | 1.53Å | 1.51Å | |
| CAO | NAN | sing | 1.47Å | 1.49Å | |
| CAO | CAJ | sing | 1.53Å | 1.54Å | |
| NAN | CAI | sing | 1.47Å | 1.47Å | |
| CAJ | CAL | sing | 1.53Å | 1.53Å | |
| CAI | CAG | sing | 1.53Å | 1.52Å | |
| CAL | CAG | sing | 1.53Å | 1.52Å | |
| CAL | CAK | sing | 1.51Å | 1.51Å | |
| CAA | CAK | sing | 1.51Å | 1.52Å | |
| CAK | CAB | doub | 1.31Å | 1.32Å | |
| CAJ | H1 | sing | 1.09Å | 1.10Å | |
| CAJ | H2 | sing | 1.09Å | 1.10Å | |
| CAD | H3 | sing | 1.09Å | 1.10Å | |
| CAD | H4 | sing | 1.09Å | 1.10Å | |
| CAD | H5 | sing | 1.09Å | 1.10Å | |
| CAM | H6 | sing | 1.09Å | 1.10Å | |
| CAC | H7 | sing | 1.09Å | 1.10Å | |
| CAC | H8 | sing | 1.09Å | 1.10Å | |
| CAC | H9 | sing | 1.09Å | 1.10Å | |
| CAF | H10 | sing | 1.09Å | 1.10Å | |
| CAF | H11 | sing | 1.09Å | 1.10Å | |
| CAE | H12 | sing | 1.09Å | 1.10Å | |
| CAE | H13 | sing | 1.09Å | 1.10Å | |
| CAH | H14 | sing | 1.09Å | 1.10Å | |
| CAH | H15 | sing | 1.09Å | 1.10Å | |
| NAN | H16 | sing | 1.01Å | 1.00Å | |
| CAI | H17 | sing | 1.09Å | 1.10Å | |
| CAI | H18 | sing | 1.09Å | 1.10Å | |
| CAG | H19 | sing | 1.09Å | 1.10Å | |
| CAG | H20 | sing | 1.09Å | 1.10Å | |
| CAL | H21 | sing | 1.09Å | 1.10Å | |
| CAB | H22 | sing | 1.08Å | 1.08Å | |
| CAB | H23 | sing | 1.08Å | 1.08Å | |
| CAA | H24 | sing | 1.09Å | 1.10Å | |
| CAA | H25 | sing | 1.09Å | 1.10Å | |
| CAA | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAE | CAF | CAM | 106.1° | 108.7° |
| CAF | CAE | CAH | 116.6° | 108.8° |
| CAE | CAF | H10 | 110.3° | 109.6° |
| CAE | CAF | H11 | 110.3° | 109.6° |
| CAF | CAE | H12 | 107.7° | 109.5° |
| CAF | CAE | H13 | 107.7° | 109.5° |
| CAF | CAM | CAC | 109.5° | 109.4° |
| CAF | CAM | CAO | 109.9° | 109.8° |
| CAF | CAM | H6 | 108.4° | 109.4° |
| CAM | CAF | H10 | 110.3° | 109.6° |
| CAM | CAF | H11 | 110.3° | 109.6° |
| CAC | CAM | CAO | 112.1° | 109.5° |
| CAC | CAM | H6 | 108.6° | 109.5° |
| CAM | CAC | H7 | 109.5° | 109.4° |
| CAM | CAC | H8 | 109.4° | 109.5° |
| CAM | CAC | H9 | 109.4° | 109.5° |
| CAE | CAH | NAN | 113.7° | 110.3° |
| CAH | CAE | H12 | 107.7° | 109.6° |
| CAH | CAE | H13 | 107.6° | 109.6° |
| CAE | CAH | H14 | 108.4° | 109.3° |
| CAE | CAH | H15 | 108.4° | 109.4° |
| CAM | CAO | CAD | 109.5° | 109.5° |
| CAM | CAO | NAN | 109.0° | 110.2° |
| CAM | CAO | CAJ | 112.4° | 108.1° |
| CAO | CAM | H6 | 108.3° | 109.4° |
| CAH | NAN | CAO | 115.1° | 110.2° |
| CAH | NAN | CAI | 107.8° | 108.1° |
| NAN | CAH | H14 | 108.4° | 109.2° |
| NAN | CAH | H15 | 108.4° | 109.3° |
| CAH | NAN | H16 | 106.6° | 109.4° |
| CAD | CAO | NAN | 112.3° | 109.5° |
| CAD | CAO | CAJ | 108.3° | 109.5° |
| CAO | CAD | H3 | 109.5° | 109.5° |
| CAO | CAD | H4 | 109.5° | 109.5° |
| CAO | CAD | H5 | 109.5° | 109.5° |
| NAN | CAO | CAJ | 105.3° | 110.0° |
| CAO | NAN | CAI | 113.2° | 110.2° |
| CAO | NAN | H16 | 106.7° | 109.5° |
| CAO | CAJ | CAL | 108.4° | 109.8° |
| CAO | CAJ | H1 | 109.7° | 109.5° |
| CAO | CAJ | H2 | 109.7° | 109.3° |
| NAN | CAI | CAG | 111.3° | 110.2° |
| CAI | NAN | H16 | 106.9° | 109.5° |
| NAN | CAI | H17 | 109.0° | 109.4° |
| NAN | CAI | H18 | 109.0° | 109.4° |
| CAJ | CAL | CAG | 109.9° | 108.8° |
| CAJ | CAL | CAK | 108.1° | 109.6° |
| CAL | CAJ | H1 | 109.8° | 109.4° |
| CAL | CAJ | H2 | 109.7° | 109.4° |
| CAJ | CAL | H21 | 109.7° | 109.6° |
| CAI | CAG | CAL | 108.5° | 108.8° |
| CAG | CAI | H17 | 109.0° | 109.4° |
| CAG | CAI | H18 | 109.0° | 109.3° |
| CAI | CAG | H19 | 109.7° | 109.6° |
| CAI | CAG | H20 | 109.7° | 109.6° |
| CAG | CAL | CAK | 109.5° | 109.6° |
| CAL | CAG | H19 | 109.7° | 109.6° |
| CAL | CAG | H20 | 109.7° | 109.7° |
| CAG | CAL | H21 | 109.7° | 109.5° |
| CAL | CAK | CAA | 120.5° | 120.0° |
| CAL | CAK | CAB | 120.0° | 120.0° |
| CAK | CAL | H21 | 109.9° | 109.7° |
| CAA | CAK | CAB | 119.5° | 120.0° |
| CAK | CAA | H24 | 109.5° | 109.5° |
| CAK | CAA | H25 | 109.5° | 109.5° |
| CAK | CAA | H26 | 109.4° | 109.5° |
| CAK | CAB | H22 | 120.0° | 120.0° |
| CAK | CAB | H23 | 120.0° | 120.0° |
| H1 | CAJ | H2 | 109.5° | 109.4° |
| H3 | CAD | H4 | 109.4° | 109.4° |
| H3 | CAD | H5 | 109.5° | 109.5° |
| H4 | CAD | H5 | 109.5° | 109.5° |
| H7 | CAC | H8 | 109.5° | 109.5° |
| H7 | CAC | H9 | 109.5° | 109.4° |
| H8 | CAC | H9 | 109.5° | 109.5° |
| H10 | CAF | H11 | 109.5° | 109.7° |
| H12 | CAE | H13 | 109.5° | 109.8° |
| H14 | CAH | H15 | 109.5° | 109.3° |
| H17 | CAI | H18 | 109.5° | 109.2° |
| H19 | CAG | H20 | 109.5° | 109.6° |
| H22 | CAB | H23 | 120.0° | 120.0° |
| H24 | CAA | H25 | 109.4° | 109.4° |
| H24 | CAA | H26 | 109.4° | 109.4° |
| H25 | CAA | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAE | CAF | CAM | H10 | 119.4° | 119.8° |
| CAE | CAF | CAM | H11 | 119.4° | 119.7° |
| CAE | CAF | CAM | CAC | 173.1° | 177.5° |
| CAF | CAE | CAH | H12 | 121.0° | 119.8° |
| CAF | CAE | CAH | H13 | 121.0° | 119.8° |
| CAE | CAF | CAM | CAO | 63.4° | 57.4° |
| CAF | CAE | CAH | NAN | 40.5° | 60.5° |
| CAE | CAF | CAM | H6 | 54.8° | 62.7° |
| CAE | CAF | H10 | H11 | 121.5° | 120.4° |
| CAF | CAE | H12 | H13 | 116.8° | 120.3° |
| CAF | CAE | CAH | H14 | 80.1° | 59.7° |
| CAF | CAE | CAH | H15 | 161.2° | 179.3° |
| CAF | CAM | CAC | CAO | 122.2° | 120.3° |
| CAF | CAM | CAC | H6 | 118.2° | 119.8° |
| CAM | CAF | CAE | CAH | 51.5° | 57.9° |
| CAF | CAM | CAO | H6 | 118.3° | 120.0° |
| CAF | CAM | CAO | CAD | 57.8° | 61.7° |
| CAF | CAM | CAO | NAN | 65.4° | 58.8° |
| CAF | CAM | CAO | CAJ | 178.2° | 179.1° |
| CAF | CAM | CAC | H7 | 180.0° | 179.7° |
| CAF | CAM | CAC | H8 | 60.0° | 59.7° |
| CAF | CAM | CAC | H9 | 60.0° | 60.4° |
| CAM | CAF | H10 | H11 | 121.6° | 120.4° |
| CAM | CAF | CAE | H12 | 172.5° | 177.7° |
| CAM | CAF | CAE | H13 | 69.5° | 61.8° |
| CAC | CAM | CAO | H6 | 119.7° | 119.9° |
| CAC | CAM | CAO | CAD | 64.2° | 58.4° |
| CAC | CAM | CAO | NAN | 172.6° | 178.9° |
| CAC | CAM | CAO | CAJ | 56.2° | 60.9° |
| CAM | CAC | H7 | H8 | 120.0° | 120.0° |
| CAM | CAC | H7 | H9 | 120.0° | 119.9° |
| CAM | CAC | H8 | H9 | 120.0° | 120.1° |
| CAC | CAM | CAF | H10 | 53.6° | 57.7° |
| CAC | CAM | CAF | H11 | 67.5° | 62.8° |
| CAE | CAH | NAN | H14 | 120.6° | 120.2° |
| CAE | CAH | NAN | H15 | 120.6° | 120.3° |
| CAE | CAH | NAN | CAO | 40.1° | 61.9° |
| CAE | CAH | NAN | CAI | 167.5° | 177.5° |
| CAH | CAE | CAF | H10 | 170.9° | 61.8° |
| CAH | CAE | CAF | H11 | 68.0° | 177.7° |
| CAH | CAE | H12 | H13 | 116.8° | 120.4° |
| CAE | CAH | H14 | H15 | 118.1° | 119.7° |
| CAE | CAH | NAN | H16 | 78.0° | 58.4° |
| CAM | CAO | NAN | CAH | 52.4° | 60.7° |
| CAM | CAO | CAD | NAN | 121.3° | 120.9° |
| CAM | CAO | CAD | CAJ | 122.9° | 118.4° |
| CAM | CAO | NAN | CAJ | 120.8° | 119.1° |
| CAM | CAO | NAN | CAI | 177.1° | 180.0° |
| CAM | CAO | CAJ | CAL | 178.6° | 179.2° |
| CAM | CAO | CAJ | H1 | 61.5° | 59.1° |
| CAM | CAO | CAJ | H2 | 58.8° | 60.8° |
| CAM | CAO | CAD | H3 | 180.0° | 179.1° |
| CAM | CAO | CAD | H4 | 60.0° | 59.1° |
| CAM | CAO | CAD | H5 | 60.0° | 60.9° |
| CAO | CAM | CAC | H7 | 57.8° | 60.0° |
| CAO | CAM | CAC | H8 | 177.8° | 180.0° |
| CAO | CAM | CAC | H9 | 62.2° | 59.9° |
| CAO | CAM | CAF | H10 | 177.1° | 62.4° |
| CAO | CAM | CAF | H11 | 56.0° | 177.1° |
| CAM | CAO | NAN | H16 | 65.6° | 59.6° |
| CAH | NAN | CAO | CAD | 69.1° | 59.8° |
| CAH | NAN | CAO | CAI | 124.7° | 119.3° |
| CAH | NAN | CAO | H16 | 118.0° | 120.3° |
| CAH | NAN | CAO | CAJ | 173.2° | 179.8° |
| CAH | NAN | CAI | H16 | 114.3° | 119.1° |
| CAH | NAN | CAI | CAG | 172.0° | 177.3° |
| NAN | CAH | CAE | H12 | 161.6° | 179.8° |
| NAN | CAH | CAE | H13 | 80.5° | 59.3° |
| NAN | CAH | H14 | H15 | 118.1° | 119.6° |
| CAH | NAN | CAI | H17 | 67.7° | 62.4° |
| CAH | NAN | CAI | H18 | 51.8° | 57.1° |
| CAD | CAO | NAN | CAJ | 117.6° | 120.4° |
| CAD | CAO | NAN | CAI | 55.5° | 59.5° |
| CAD | CAO | CAJ | CAL | 57.5° | 61.6° |
| CAD | CAO | CAJ | H1 | 177.3° | 178.3° |
| CAD | CAO | CAJ | H2 | 62.3° | 58.4° |
| CAO | CAD | H3 | H4 | 120.0° | 120.0° |
| CAO | CAD | H3 | H5 | 120.0° | 120.0° |
| CAO | CAD | H4 | H5 | 120.0° | 120.1° |
| CAD | CAO | CAM | H6 | 176.1° | 178.3° |
| CAD | CAO | NAN | H16 | 172.9° | 179.9° |
| CAO | NAN | CAI | H16 | 117.2° | 120.4° |
| NAN | CAO | CAJ | CAL | 62.8° | 58.8° |
| CAO | NAN | CAI | CAG | 59.5° | 62.2° |
| NAN | CAO | CAJ | H1 | 57.1° | 61.3° |
| NAN | CAO | CAJ | H2 | 177.4° | 178.9° |
| NAN | CAO | CAD | H3 | 58.7° | 60.0° |
| NAN | CAO | CAD | H4 | 178.7° | 180.0° |
| NAN | CAO | CAD | H5 | 61.3° | 60.0° |
| NAN | CAO | CAM | H6 | 52.9° | 61.2° |
| CAO | NAN | CAH | H14 | 80.6° | 58.2° |
| CAO | NAN | CAH | H15 | 160.7° | 177.8° |
| CAO | NAN | CAI | H17 | 60.8° | 58.1° |
| CAO | NAN | CAI | H18 | 179.7° | 177.7° |
| CAJ | CAO | NAN | CAI | 62.1° | 60.9° |
| CAO | CAJ | CAL | H1 | 119.8° | 120.2° |
| CAO | CAJ | CAL | H2 | 119.8° | 120.0° |
| CAO | CAJ | CAL | CAG | 63.3° | 57.3° |
| CAO | CAJ | CAL | CAK | 177.2° | 177.2° |
| CAO | CAJ | H1 | H2 | 120.5° | 119.8° |
| CAJ | CAO | CAD | H3 | 57.1° | 60.7° |
| CAJ | CAO | CAD | H4 | 62.9° | 59.2° |
| CAJ | CAO | CAD | H5 | 177.1° | 179.3° |
| CAJ | CAO | CAM | H6 | 63.6° | 59.1° |
| CAJ | CAO | NAN | H16 | 55.3° | 59.5° |
| CAO | CAJ | CAL | H21 | 57.4° | 62.3° |
| NAN | CAI | CAG | H17 | 120.3° | 120.3° |
| NAN | CAI | CAG | H18 | 120.3° | 120.2° |
| NAN | CAI | CAG | CAL | 54.4° | 60.5° |
| CAI | NAN | CAH | H14 | 46.9° | 62.3° |
| CAI | NAN | CAH | H15 | 71.9° | 57.2° |
| NAN | CAI | H17 | H18 | 119.2° | 119.7° |
| NAN | CAI | CAG | H19 | 174.2° | 179.7° |
| NAN | CAI | CAG | H20 | 65.5° | 59.4° |
| CAJ | CAL | CAG | CAI | 57.3° | 57.8° |
| CAJ | CAL | CAG | CAK | 118.6° | 119.8° |
| CAJ | CAL | CAG | H21 | 120.7° | 119.7° |
| CAJ | CAL | CAK | H21 | 119.6° | 120.4° |
| CAJ | CAL | CAK | CAA | 70.5° | 60.0° |
| CAJ | CAL | CAK | CAB | 108.9° | 120.1° |
| CAL | CAJ | H1 | H2 | 120.5° | 119.8° |
| CAJ | CAL | CAG | H19 | 177.1° | 177.7° |
| CAJ | CAL | CAG | H20 | 62.5° | 62.0° |
| CAI | CAG | CAL | H19 | 119.9° | 119.8° |
| CAI | CAG | CAL | H20 | 119.8° | 119.9° |
| CAI | CAG | CAL | CAK | 175.9° | 177.6° |
| CAG | CAI | NAN | H16 | 57.7° | 58.3° |
| CAG | CAI | H17 | H18 | 119.1° | 119.6° |
| CAI | CAG | H19 | H20 | 120.4° | 120.3° |
| CAI | CAG | CAL | H21 | 63.4° | 61.9° |
| CAG | CAL | CAK | H21 | 120.6° | 120.3° |
| CAG | CAL | CAK | CAA | 169.8° | 59.3° |
| CAG | CAL | CAK | CAB | 10.9° | 120.6° |
| CAG | CAL | CAJ | H1 | 56.5° | 62.9° |
| CAG | CAL | CAJ | H2 | 176.8° | 177.3° |
| CAL | CAG | CAI | H17 | 65.9° | 59.8° |
| CAL | CAG | CAI | H18 | 174.6° | 179.3° |
| CAL | CAG | H19 | H20 | 120.5° | 120.4° |
| CAL | CAK | CAA | CAB | 179.4° | 179.9° |
| CAK | CAL | CAJ | H1 | 63.0° | 57.0° |
| CAK | CAL | CAJ | H2 | 57.3° | 62.9° |
| CAK | CAL | CAG | H19 | 64.3° | 62.5° |
| CAK | CAL | CAG | H20 | 56.0° | 57.8° |
| CAL | CAK | CAB | H22 | 179.3° | 180.0° |
| CAL | CAK | CAB | H23 | 0.6° | 0.1° |
| CAL | CAK | CAA | H24 | 180.0° | 60.0° |
| CAL | CAK | CAA | H25 | 60.0° | 180.0° |
| CAL | CAK | CAA | H26 | 60.0° | 60.0° |
| CAA | CAK | CAL | H21 | 49.2° | 179.6° |
| CAA | CAK | CAB | H22 | 0.0° | 0.1° |
| CAA | CAK | CAB | H23 | 180.0° | 180.0° |
| CAK | CAA | H24 | H25 | 120.0° | 120.0° |
| CAK | CAA | H24 | H26 | 120.0° | 120.0° |
| CAK | CAA | H25 | H26 | 120.0° | 120.1° |
| CAB | CAK | CAL | H21 | 131.5° | 0.3° |
| CAK | CAB | H22 | H23 | 180.0° | 179.9° |
| CAB | CAK | CAA | H24 | 0.6° | 120.0° |
| CAB | CAK | CAA | H25 | 119.3° | 0.1° |
| CAB | CAK | CAA | H26 | 120.6° | 120.0° |
| H1 | CAJ | CAL | H21 | 177.2° | 177.5° |
| H2 | CAJ | CAL | H21 | 62.4° | 57.6° |
| H3 | CAD | H4 | H5 | 120.0° | 120.0° |
| H6 | CAM | CAC | H7 | 61.8° | 59.9° |
| H6 | CAM | CAC | H8 | 58.2° | 60.1° |
| H6 | CAM | CAC | H9 | 178.2° | 179.8° |
| H6 | CAM | CAF | H10 | 64.6° | 177.6° |
| H6 | CAM | CAF | H11 | 174.2° | 57.1° |
| H7 | CAC | H8 | H9 | 120.0° | 120.0° |
| H10 | CAF | CAE | H12 | 68.0° | 57.9° |
| H10 | CAF | CAE | H13 | 49.9° | 178.4° |
| H11 | CAF | CAE | H12 | 53.0° | 62.5° |
| H11 | CAF | CAE | H13 | 171.0° | 57.9° |
| H12 | CAE | CAH | H14 | 41.0° | 60.1° |
| H12 | CAE | CAH | H15 | 77.8° | 59.5° |
| H13 | CAE | CAH | H14 | 158.9° | 179.4° |
| H13 | CAE | CAH | H15 | 40.2° | 61.0° |
| H14 | CAH | NAN | H16 | 161.4° | 178.6° |
| H15 | CAH | NAN | H16 | 42.6° | 61.9° |
| H16 | NAN | CAI | H17 | 178.0° | 178.5° |
| H16 | NAN | CAI | H18 | 62.5° | 61.9° |
| H17 | CAI | CAG | H19 | 53.9° | 60.1° |
| H17 | CAI | CAG | H20 | 174.2° | 179.7° |
| H18 | CAI | CAG | H19 | 65.5° | 59.5° |
| H18 | CAI | CAG | H20 | 54.8° | 60.8° |
| H19 | CAG | CAL | H21 | 56.4° | 57.9° |
| H20 | CAG | CAL | H21 | 176.7° | 178.2° |
| H24 | CAA | H25 | H26 | 120.0° | 119.9° |
