CQ4
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O3 | CR | doub | 1.66Å | 1.67Å | |
O4 | CR | doub | 1.66Å | 1.70Å | |
CR | O2 | sing | 1.66Å | 1.69Å | |
CR | O1 | sing | 1.66Å | 1.68Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O3 | CR | O4 | 109.9° | 109.5° |
O3 | CR | O2 | 106.1° | 109.5° |
O3 | CR | O1 | 110.4° | 109.5° |
O4 | CR | O2 | 110.1° | 109.5° |
O4 | CR | O1 | 108.3° | 109.5° |
O2 | CR | O1 | 112.1° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O3 | CR | O4 | O2 | 116.5° | 120.0° |
O3 | CR | O4 | O1 | 120.6° | 120.0° |
O3 | CR | O2 | O1 | 120.5° | 120.0° |
O4 | CR | O2 | O1 | 120.6° | 120.0° |