QXM
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
C10 | C02 | sing | 1.52Å | 1.59Å | |
C10 | C09 | sing | 1.51Å | 1.55Å | |
C10 | O11 | sing | 1.45Å | 1.41Å | |
FE | O02 | sing | 1.83Å | 2.28Å | |
O01 | O02 | sing | 1.50Å | 1.16Å | |
C02 | C03 | sing | 1.48Å | 1.54Å | |
C02 | N01 | doub | 1.30Å | 1.26Å | |
C03 | C04 | sing | 1.47Å | 1.54Å | |
C03 | C07 | doub | 1.39Å | 1.50Å | |
C04 | O05 | doub | 1.22Å | 1.26Å | |
C04 | O06 | sing | 1.22Å | 1.28Å | |
C07 | C08 | sing | 1.41Å | 1.50Å | |
C08 | C09 | doub | 1.33Å | 1.53Å | |
C10 | O01 | sing | 1.43Å | 1.84Å | |
C07 | H2 | sing | 1.08Å | 1.08Å | |
C08 | H4 | sing | 1.08Å | 1.08Å | |
C09 | H6 | sing | 1.08Å | 1.08Å | |
N01 | H8 | sing | 0.97Å | 1.00Å | |
O11 | FE | sing | 1.82Å | 2.51Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
C02 | C10 | C09 | 115.3° | 108.1° |
C02 | C10 | O11 | 113.7° | 107.5° |
C10 | C02 | C03 | 119.5° | 117.1° |
C10 | C02 | N01 | 121.1° | 121.4° |
C02 | C10 | O01 | 92.8° | 108.5° |
C09 | C10 | O11 | 104.6° | 107.8° |
C10 | C09 | C08 | 119.8° | 121.6° |
C09 | C10 | O01 | 100.9° | 108.7° |
C10 | C09 | H6 | 120.1° | 119.1° |
O11 | C10 | O01 | 129.5° | 116.0° |
C10 | O11 | FE | 83.9° | 102.1° |
FE | O02 | O01 | 101.6° | 97.8° |
O02 | FE | O11 | 91.9° | 97.5° |
O02 | O01 | C10 | 120.4° | 112.3° |
C03 | C02 | N01 | 118.0° | 121.5° |
C02 | C03 | C04 | 122.0° | 121.2° |
C02 | C03 | C07 | 119.1° | 117.5° |
C02 | N01 | H8 | 112.0° | 120.0° |
C04 | C03 | C07 | 117.7° | 121.3° |
C03 | C04 | O05 | 120.2° | 120.0° |
C03 | C04 | O06 | 120.6° | 120.0° |
C03 | C07 | C08 | 120.6° | 119.9° |
C03 | C07 | H2 | 119.7° | 120.1° |
O05 | C04 | O06 | 119.3° | 120.0° |
C07 | C08 | C09 | 119.2° | 122.8° |
C08 | C07 | H2 | 119.7° | 120.0° |
C07 | C08 | H4 | 120.4° | 118.6° |
C09 | C08 | H4 | 120.4° | 118.5° |
C08 | C09 | H6 | 120.1° | 119.3° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
C02 | C10 | C09 | O11 | 125.7° | 115.9° |
C02 | C10 | C09 | O01 | 98.4° | 117.6° |
C02 | C10 | O11 | O01 | 115.6° | 121.5° |
C02 | C10 | O01 | O02 | 72.7° | 154.2° |
C10 | C02 | C03 | N01 | 166.9° | 180.0° |
C10 | C02 | C03 | C04 | 150.4° | 150.2° |
C10 | C02 | C03 | C07 | 17.0° | 29.8° |
C02 | C10 | C09 | C08 | 23.4° | 28.0° |
C02 | C10 | C09 | H6 | 156.6° | 152.0° |
C10 | C02 | N01 | H8 | 166.7° | 180.0° |
C02 | C10 | O11 | FE | 83.2° | 129.0° |
C09 | C10 | O11 | O01 | 117.8° | 122.1° |
C09 | C10 | O01 | O02 | 170.8° | 88.4° |
C09 | C10 | C02 | C03 | 20.0° | 41.1° |
C09 | C10 | C02 | N01 | 173.5° | 138.8° |
C10 | C09 | C08 | C07 | 23.9° | 1.6° |
C10 | C09 | C08 | H6 | 180.0° | 180.0° |
C10 | C09 | C08 | H4 | 156.1° | 178.4° |
C09 | C10 | O11 | FE | 150.2° | 114.7° |
C10 | O11 | FE | O02 | 14.1° | 14.5° |
O11 | C10 | O01 | O02 | 51.5° | 33.2° |
O11 | C10 | C02 | C03 | 140.8° | 157.2° |
O11 | C10 | C02 | N01 | 52.7° | 22.7° |
O11 | C10 | C09 | C08 | 149.1° | 143.9° |
O11 | C10 | C09 | H6 | 31.0° | 36.1° |
FE | O02 | O01 | C10 | 24.0° | 38.7° |
O01 | O02 | FE | O11 | 7.3° | 29.7° |
C02 | C03 | C04 | C07 | 167.5° | 180.0° |
C02 | C03 | C04 | O05 | 28.9° | 180.0° |
C02 | C03 | C04 | O06 | 151.9° | 0.0° |
C02 | C03 | C07 | C08 | 16.8° | 0.8° |
C03 | C02 | C10 | O01 | 83.4° | 76.6° |
C02 | C03 | C07 | H2 | 163.2° | 179.2° |
C03 | C02 | N01 | H8 | 0.0° | 0.0° |
N01 | C02 | C03 | C04 | 16.5° | 29.9° |
N01 | C02 | C03 | C07 | 176.1° | 150.2° |
N01 | C02 | C10 | O01 | 83.1° | 103.4° |
C03 | C04 | O05 | O06 | 179.2° | 180.0° |
C04 | C03 | C07 | C08 | 151.1° | 179.2° |
C04 | C03 | C07 | H2 | 28.9° | 0.8° |
C07 | C03 | C04 | O05 | 163.6° | 0.0° |
C07 | C03 | C04 | O06 | 15.6° | 180.0° |
C03 | C07 | C08 | H2 | 180.0° | 180.0° |
C03 | C07 | C08 | C09 | 20.2° | 14.0° |
C03 | C07 | C08 | H4 | 159.8° | 166.0° |
C07 | C08 | C09 | H4 | 180.0° | 180.0° |
C07 | C08 | C09 | H6 | 156.1° | 178.4° |
C08 | C09 | C10 | O01 | 75.0° | 89.6° |
C09 | C08 | C07 | H2 | 159.8° | 166.0° |
O01 | C10 | C09 | H6 | 105.0° | 90.4° |
O01 | C10 | O11 | FE | 32.4° | 7.4° |
H2 | C07 | C08 | H4 | 20.2° | 14.0° |
H4 | C08 | C09 | H6 | 23.9° | 1.6° |