XPO
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O | C | doub | 1.21Å | 1.24Å | |
C | O2 | sing | 1.34Å | 1.42Å | |
O3 | P | doub | 1.48Å | 1.47Å | |
O2 | P | sing | 1.61Å | 1.51Å | |
P | O1 | sing | 1.61Å | 1.47Å | |
P | O4 | sing | 1.61Å | 1.47Å | |
C | H1 | sing | 1.08Å | 1.08Å | |
O1 | H2 | sing | 0.97Å | 0.95Å | |
O4 | H3 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O | C | O2 | 123.7° | 120.1° |
O | C | H1 | 118.2° | 120.0° |
C | O2 | P | 118.2° | 117.1° |
O2 | C | H1 | 118.2° | 119.9° |
O3 | P | O2 | 105.7° | 109.4° |
O3 | P | O1 | 110.5° | 109.5° |
O3 | P | O4 | 108.2° | 109.5° |
O2 | P | O1 | 116.9° | 109.5° |
O2 | P | O4 | 106.7° | 109.4° |
O1 | P | O4 | 108.5° | 109.5° |
P | O1 | H2 | 109.5° | 114.0° |
P | O4 | H3 | 109.5° | 114.0° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O | C | O2 | H1 | 180.0° | 179.7° |
O | C | O2 | P | 133.1° | 179.7° |
C | O2 | P | O3 | 65.1° | 55.0° |
C | O2 | P | O1 | 58.2° | 175.0° |
C | O2 | P | O4 | 179.8° | 65.0° |
O3 | P | O2 | O1 | 123.3° | 120.0° |
O3 | P | O2 | O4 | 115.1° | 120.0° |
O3 | P | O1 | O4 | 118.5° | 120.0° |
O3 | P | O1 | H2 | 0.0° | 60.0° |
O3 | P | O4 | H3 | 0.0° | 180.0° |
O2 | P | O1 | O4 | 120.6° | 120.0° |
P | O2 | C | H1 | 46.9° | 0.0° |
O2 | P | O1 | H2 | 120.8° | 180.0° |
O2 | P | O4 | H3 | 113.4° | 60.1° |
O1 | P | O4 | H3 | 119.9° | 59.9° |
O4 | P | O1 | H2 | 118.5° | 60.0° |