PR6
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
CAH | CL | sing | 1.74Å | 1.34Å | |
OAI | CAH | doub | 1.21Å | 1.23Å | |
CAH | CAJ | sing | 1.51Å | 1.53Å | |
CAK | CAJ | sing | 1.51Å | 1.55Å | |
CAJ | HAJ | sing | 1.09Å | 1.10Å | |
CAJ | HAJA | sing | 1.09Å | 1.10Å | |
OAL | CAK | doub | 1.21Å | 1.25Å | |
CAK | OAM | sing | 1.34Å | 1.26Å | |
OAM | HOAM | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
CL | CAH | OAI | 120.2° | 120.0° |
CL | CAH | CAJ | 120.9° | 120.0° |
OAI | CAH | CAJ | 118.9° | 120.0° |
CAH | CAJ | CAK | 101.6° | 109.5° |
CAH | CAJ | HAJ | 112.2° | 109.5° |
CAH | CAJ | HAJA | 112.2° | 109.4° |
CAK | CAJ | HAJ | 112.2° | 109.5° |
CAK | CAJ | HAJA | 112.2° | 109.5° |
CAJ | CAK | OAL | 116.9° | 120.0° |
CAJ | CAK | OAM | 117.8° | 120.0° |
HAJ | CAJ | HAJA | 106.6° | 109.5° |
OAL | CAK | OAM | 125.2° | 120.0° |
CAK | OAM | HOAM | 109.5° | 117.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
CL | CAH | OAI | CAJ | 177.4° | 179.7° |
CL | CAH | CAJ | CAK | 103.7° | 180.0° |
CL | CAH | CAJ | HAJ | 16.3° | 59.9° |
CL | CAH | CAJ | HAJA | 136.3° | 60.0° |
OAI | CAH | CAJ | CAK | 73.7° | 0.3° |
OAI | CAH | CAJ | HAJ | 166.3° | 119.8° |
OAI | CAH | CAJ | HAJA | 46.3° | 120.3° |
CAH | CAJ | CAK | HAJ | 120.0° | 120.0° |
CAH | CAJ | CAK | HAJA | 120.0° | 120.0° |
CAH | CAJ | HAJ | HAJA | 123.2° | 120.0° |
CAH | CAJ | CAK | OAL | 99.3° | 0.0° |
CAH | CAJ | CAK | OAM | 77.3° | 180.0° |
CAK | CAJ | HAJ | HAJA | 123.2° | 120.0° |
CAJ | CAK | OAL | OAM | 176.3° | 180.0° |
CAJ | CAK | OAM | HOAM | 176.3° | 180.0° |
HAJ | CAJ | CAK | OAL | 140.7° | 120.0° |
HAJ | CAJ | CAK | OAM | 42.7° | 60.0° |
HAJA | CAJ | CAK | OAL | 20.8° | 120.0° |
HAJA | CAJ | CAK | OAM | 162.7° | 60.0° |
OAL | CAK | OAM | HOAM | 0.0° | 0.0° |