TS6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1P | P | doub | 1.48Å | 1.51Å | |
| S2P | P | sing | 2.12Å | 1.95Å | |
| P | O3P | sing | 1.61Å | 1.51Å | |
| P | O4P | sing | 1.61Å | 1.51Å | |
| S2P | HS2P | sing | 1.35Å | 1.30Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| O4P | HO4P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1P | P | S2P | 109.6° | 109.4° |
| O1P | P | O3P | 110.0° | 109.5° |
| O1P | P | O4P | 109.4° | 109.5° |
| S2P | P | O3P | 108.6° | 109.5° |
| S2P | P | O4P | 109.6° | 109.5° |
| P | S2P | HS2P | 102.0° | 103.0° |
| O3P | P | O4P | 109.6° | 109.5° |
| P | O3P | HO3P | 109.5° | 114.0° |
| P | O4P | HO4P | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1P | P | S2P | O3P | 120.2° | 120.0° |
| O1P | P | S2P | O4P | 120.1° | 120.0° |
| O1P | P | O3P | O4P | 120.4° | 120.0° |
| O1P | P | S2P | HS2P | 0.0° | 180.0° |
| O1P | P | O3P | HO3P | 0.0° | 60.0° |
| O1P | P | O4P | HO4P | 0.0° | 60.0° |
| S2P | P | O3P | O4P | 119.7° | 120.0° |
| S2P | P | O3P | HO3P | 120.0° | 60.0° |
| S2P | P | O4P | HO4P | 120.2° | 60.0° |
| O3P | P | S2P | HS2P | 120.2° | 60.0° |
| O3P | P | O4P | HO4P | 120.7° | 180.0° |
| O4P | P | S2P | HS2P | 120.1° | 60.0° |
| O4P | P | O3P | HO3P | 120.3° | 180.0° |
