W6X
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
F06 | C03 | sing | 1.40Å | 1.37Å | |
F04 | C03 | sing | 1.40Å | 1.37Å | |
C03 | C02 | sing | 1.51Å | 1.53Å | |
C03 | F05 | sing | 1.40Å | 1.36Å | |
C02 | C01 | sing | 1.51Å | 1.53Å | |
C02 | O07 | doub | 1.21Å | 1.19Å | |
C01 | H012 | sing | 1.09Å | 1.10Å | |
C01 | H011 | sing | 1.09Å | 1.10Å | |
C01 | H013 | sing | 1.09Å | 1.10Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
F06 | C03 | F04 | 109.4° | 109.4° |
F06 | C03 | C02 | 111.2° | 109.5° |
F06 | C03 | F05 | 108.3° | 109.5° |
F04 | C03 | C02 | 108.5° | 109.5° |
F04 | C03 | F05 | 109.8° | 109.5° |
C02 | C03 | F05 | 109.7° | 109.5° |
C03 | C02 | C01 | 120.6° | 120.0° |
C03 | C02 | O07 | 120.0° | 120.0° |
C01 | C02 | O07 | 119.4° | 120.0° |
C02 | C01 | H012 | 109.5° | 109.5° |
C02 | C01 | H011 | 109.4° | 109.5° |
C02 | C01 | H013 | 109.5° | 109.5° |
H012 | C01 | H011 | 109.5° | 109.5° |
H012 | C01 | H013 | 109.5° | 109.5° |
H011 | C01 | H013 | 109.5° | 109.4° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
F06 | C03 | F04 | C02 | 121.5° | 120.1° |
F06 | C03 | F04 | F05 | 118.7° | 119.9° |
F06 | C03 | C02 | F05 | 119.8° | 120.0° |
F06 | C03 | C02 | C01 | 30.8° | 60.0° |
F06 | C03 | C02 | O07 | 149.4° | 120.0° |
F04 | C03 | C02 | F05 | 119.9° | 120.0° |
F04 | C03 | C02 | C01 | 151.2° | 60.0° |
F04 | C03 | C02 | O07 | 29.1° | 120.0° |
C03 | C02 | C01 | O07 | 179.7° | 180.0° |
C03 | C02 | C01 | H012 | 179.7° | 180.0° |
C03 | C02 | C01 | H011 | 59.7° | 60.0° |
C03 | C02 | C01 | H013 | 60.3° | 60.0° |
F05 | C03 | C02 | C01 | 88.9° | 180.0° |
F05 | C03 | C02 | O07 | 90.8° | 0.0° |
C02 | C01 | H012 | H011 | 120.0° | 120.0° |
C02 | C01 | H012 | H013 | 120.0° | 120.0° |
C02 | C01 | H011 | H013 | 120.0° | 120.0° |
O07 | C02 | C01 | H012 | 0.0° | 0.0° |
O07 | C02 | C01 | H011 | 120.0° | 120.0° |
O07 | C02 | C01 | H013 | 120.0° | 120.0° |
H012 | C01 | H011 | H013 | 120.0° | 120.0° |