MF5
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
FAE | CAS | sing | 1.35Å | 1.27Å | |
CAS | CAQ | sing | 1.39Å | 1.38Å | Aromatic |
CAS | CAU | doub | 1.38Å | 1.39Å | Aromatic |
CAQ | FAC | sing | 1.35Å | 1.35Å | |
CAQ | CAP | doub | 1.39Å | 1.39Å | Aromatic |
CAP | FAB | sing | 1.35Å | 1.33Å | |
CAP | CAR | sing | 1.39Å | 1.39Å | Aromatic |
CAR | FAD | sing | 1.35Å | 1.35Å | |
CAR | CAT | doub | 1.39Å | 1.39Å | Aromatic |
CAT | FAF | sing | 1.35Å | 1.35Å | |
CAT | CAU | sing | 1.39Å | 1.39Å | Aromatic |
CAU | CAL | sing | 1.51Å | 1.39Å | |
CAL | OAN | sing | 1.43Å | 1.44Å | |
OAN | NAM | sing | 1.42Å | 1.46Å | |
NAM | CAG | doub | 1.29Å | 1.34Å | |
CAG | CAO | sing | 1.48Å | 1.39Å | |
CAO | CAJ | sing | 1.40Å | 1.39Å | Aromatic |
CAO | NAV | doub | 1.33Å | 1.34Å | Aromatic |
CAJ | CAH | doub | 1.38Å | 1.39Å | Aromatic |
CAH | CAI | sing | 1.39Å | 1.39Å | Aromatic |
CAI | CAK | doub | 1.38Å | 1.39Å | Aromatic |
CAK | NAV | sing | 1.32Å | 1.40Å | Aromatic |
NAV | CAA | sing | 1.46Å | 1.47Å | |
CAL | HAL1 | sing | 1.09Å | 1.10Å | |
CAL | HAL2 | sing | 1.09Å | 1.10Å | |
CAG | HAG1 | sing | 1.08Å | 1.08Å | |
CAJ | HAJ | sing | 1.08Å | 1.08Å | |
CAH | HAH | sing | 1.08Å | 1.08Å | |
CAI | HAI | sing | 1.08Å | 1.08Å | |
CAK | HAK | sing | 1.08Å | 1.08Å | |
CAA | HAA1 | sing | 1.09Å | 1.10Å | |
CAA | HAA2 | sing | 1.09Å | 1.10Å | |
CAA | HAA3 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
FAE | CAS | CAQ | 118.9° | 120.0° |
FAE | CAS | CAU | 120.4° | 120.0° |
CAQ | CAS | CAU | 120.6° | 120.1° |
CAS | CAQ | FAC | 119.5° | 120.0° |
CAS | CAQ | CAP | 119.7° | 119.9° |
CAS | CAU | CAT | 119.6° | 120.0° |
CAS | CAU | CAL | 119.8° | 120.0° |
FAC | CAQ | CAP | 120.8° | 120.0° |
CAQ | CAP | FAB | 119.7° | 120.0° |
CAQ | CAP | CAR | 120.0° | 120.0° |
FAB | CAP | CAR | 120.3° | 120.1° |
CAP | CAR | FAD | 120.1° | 120.0° |
CAP | CAR | CAT | 120.1° | 120.0° |
FAD | CAR | CAT | 119.8° | 120.0° |
CAR | CAT | FAF | 120.1° | 120.0° |
CAR | CAT | CAU | 119.9° | 120.0° |
FAF | CAT | CAU | 120.1° | 120.0° |
CAT | CAU | CAL | 120.5° | 120.0° |
CAU | CAL | OAN | 110.3° | 109.5° |
CAU | CAL | HAL1 | 109.3° | 109.5° |
CAU | CAL | HAL2 | 109.3° | 109.4° |
CAL | OAN | NAM | 109.4° | 114.0° |
OAN | CAL | HAL1 | 109.3° | 109.4° |
OAN | CAL | HAL2 | 109.3° | 109.4° |
OAN | NAM | CAG | 118.4° | 120.0° |
NAM | CAG | CAO | 112.6° | 120.0° |
NAM | CAG | HAG1 | 123.7° | 120.0° |
CAG | CAO | CAJ | 118.1° | 119.7° |
CAG | CAO | NAV | 121.8° | 119.8° |
CAO | CAG | HAG1 | 123.7° | 120.0° |
CAJ | CAO | NAV | 120.1° | 120.5° |
CAO | CAJ | CAH | 120.6° | 119.0° |
CAO | CAJ | HAJ | 119.7° | 120.4° |
CAO | NAV | CAK | 120.5° | 121.7° |
CAO | NAV | CAA | 120.4° | 119.2° |
CAJ | CAH | CAI | 119.4° | 118.5° |
CAH | CAJ | HAJ | 119.7° | 120.5° |
CAJ | CAH | HAH | 120.3° | 120.7° |
CAH | CAI | CAK | 119.4° | 119.4° |
CAI | CAH | HAH | 120.3° | 120.8° |
CAH | CAI | HAI | 120.3° | 120.3° |
CAI | CAK | NAV | 119.9° | 120.9° |
CAK | CAI | HAI | 120.3° | 120.3° |
CAI | CAK | HAK | 120.1° | 119.5° |
CAK | NAV | CAA | 119.1° | 119.2° |
NAV | CAK | HAK | 120.0° | 119.6° |
NAV | CAA | HAA1 | 109.5° | 109.5° |
NAV | CAA | HAA2 | 109.5° | 109.5° |
NAV | CAA | HAA3 | 109.5° | 109.5° |
HAL1 | CAL | HAL2 | 109.4° | 109.5° |
HAA1 | CAA | HAA2 | 109.5° | 109.5° |
HAA1 | CAA | HAA3 | 109.5° | 109.4° |
HAA2 | CAA | HAA3 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
FAE | CAS | CAQ | CAU | 179.3° | 179.7° |
FAE | CAS | CAQ | FAC | 0.4° | 0.0° |
FAE | CAS | CAQ | CAP | 179.8° | 180.0° |
FAE | CAS | CAU | CAT | 180.0° | 179.8° |
FAE | CAS | CAU | CAL | 0.9° | 0.0° |
CAS | CAQ | FAC | CAP | 179.9° | 179.9° |
CAS | CAQ | CAP | FAB | 179.9° | 180.0° |
CAS | CAQ | CAP | CAR | 0.1° | 0.0° |
CAQ | CAS | CAU | CAT | 0.7° | 0.5° |
CAQ | CAS | CAU | CAL | 179.7° | 179.7° |
CAU | CAS | CAQ | FAC | 179.7° | 179.7° |
CAU | CAS | CAQ | CAP | 0.4° | 0.3° |
CAS | CAU | CAT | CAR | 0.6° | 0.5° |
CAS | CAU | CAT | FAF | 179.4° | 179.8° |
CAS | CAU | CAT | CAL | 179.1° | 179.8° |
CAS | CAU | CAL | OAN | 70.6° | 90.0° |
CAS | CAU | CAL | HAL1 | 49.5° | 150.0° |
CAS | CAU | CAL | HAL2 | 169.2° | 30.0° |
FAC | CAQ | CAP | FAB | 0.0° | 0.0° |
FAC | CAQ | CAP | CAR | 180.0° | 180.0° |
CAQ | CAP | FAB | CAR | 180.0° | 180.0° |
CAQ | CAP | CAR | FAD | 179.8° | 180.0° |
CAQ | CAP | CAR | CAT | 0.0° | 0.0° |
FAB | CAP | CAR | FAD | 0.2° | 0.0° |
FAB | CAP | CAR | CAT | 180.0° | 180.0° |
CAP | CAR | FAD | CAT | 179.7° | 180.0° |
CAP | CAR | CAT | FAF | 179.7° | 180.0° |
CAP | CAR | CAT | CAU | 0.3° | 0.3° |
FAD | CAR | CAT | FAF | 0.0° | 0.0° |
FAD | CAR | CAT | CAU | 180.0° | 179.7° |
CAR | CAT | FAF | CAU | 180.0° | 179.7° |
CAR | CAT | CAU | CAL | 179.6° | 179.7° |
FAF | CAT | CAU | CAL | 0.3° | 0.0° |
CAT | CAU | CAL | OAN | 110.3° | 89.8° |
CAT | CAU | CAL | HAL1 | 129.5° | 30.2° |
CAT | CAU | CAL | HAL2 | 9.8° | 150.3° |
CAU | CAL | OAN | HAL1 | 120.1° | 120.0° |
CAU | CAL | OAN | HAL2 | 120.1° | 120.0° |
CAU | CAL | OAN | NAM | 82.3° | 180.0° |
CAU | CAL | HAL1 | HAL2 | 119.6° | 120.0° |
CAL | OAN | NAM | CAG | 164.0° | 180.0° |
OAN | CAL | HAL1 | HAL2 | 119.6° | 120.0° |
OAN | NAM | CAG | CAO | 179.8° | 180.0° |
NAM | OAN | CAL | HAL1 | 157.5° | 60.0° |
NAM | OAN | CAL | HAL2 | 37.8° | 60.0° |
OAN | NAM | CAG | HAG1 | 0.2° | 0.1° |
NAM | CAG | CAO | HAG1 | 180.0° | 179.9° |
NAM | CAG | CAO | CAJ | 1.8° | 0.0° |
NAM | CAG | CAO | NAV | 178.9° | 179.7° |
CAG | CAO | CAJ | NAV | 179.4° | 179.7° |
CAG | CAO | CAJ | CAH | 180.0° | 180.0° |
CAG | CAO | NAV | CAK | 179.9° | 179.7° |
CAG | CAO | NAV | CAA | 0.4° | 0.1° |
CAG | CAO | CAJ | HAJ | 0.0° | 0.0° |
CAO | CAJ | CAH | HAJ | 180.0° | 180.0° |
CAO | CAJ | CAH | CAI | 0.2° | 0.0° |
CAJ | CAO | NAV | CAK | 0.7° | 0.6° |
CAJ | CAO | NAV | CAA | 179.8° | 179.8° |
CAJ | CAO | CAG | HAG1 | 178.2° | 180.0° |
CAO | CAJ | CAH | HAH | 179.8° | 180.0° |
NAV | CAO | CAJ | CAH | 0.6° | 0.2° |
CAO | NAV | CAK | CAI | 0.4° | 0.6° |
CAO | NAV | CAK | CAA | 179.5° | 179.7° |
NAV | CAO | CAG | HAG1 | 1.1° | 0.3° |
NAV | CAO | CAJ | HAJ | 179.4° | 179.7° |
CAO | NAV | CAK | HAK | 179.6° | 179.7° |
CAO | NAV | CAA | HAA1 | 180.0° | 90.0° |
CAO | NAV | CAA | HAA2 | 60.0° | 150.0° |
CAO | NAV | CAA | HAA3 | 60.0° | 30.0° |
CAJ | CAH | CAI | HAH | 180.0° | 179.9° |
CAJ | CAH | CAI | CAK | 0.1° | 0.0° |
CAJ | CAH | CAI | HAI | 179.9° | 180.0° |
CAH | CAI | CAK | HAI | 180.0° | 179.9° |
CAH | CAI | CAK | NAV | 0.0° | 0.3° |
CAI | CAH | CAJ | HAJ | 179.8° | 180.0° |
CAH | CAI | CAK | HAK | 180.0° | 180.0° |
CAI | CAK | NAV | HAK | 180.0° | 179.7° |
CAI | CAK | NAV | CAA | 179.9° | 179.8° |
CAK | CAI | CAH | HAH | 179.9° | 180.0° |
NAV | CAK | CAI | HAI | 180.0° | 179.7° |
CAK | NAV | CAA | HAA1 | 0.5° | 89.7° |
CAK | NAV | CAA | HAA2 | 119.5° | 30.3° |
CAK | NAV | CAA | HAA3 | 120.5° | 150.3° |
CAA | NAV | CAK | HAK | 0.1° | 0.0° |
NAV | CAA | HAA1 | HAA2 | 120.0° | 120.0° |
NAV | CAA | HAA1 | HAA3 | 120.0° | 120.0° |
NAV | CAA | HAA2 | HAA3 | 120.0° | 120.0° |
HAJ | CAJ | CAH | HAH | 0.2° | 0.0° |
HAH | CAH | CAI | HAI | 0.1° | 0.1° |
HAI | CAI | CAK | HAK | 0.0° | 0.0° |
HAA1 | CAA | HAA2 | HAA3 | 120.0° | 119.9° |