PBM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PB | C1 | sing | 2.26Å | 2.18Å | |
| PB | C2 | sing | 2.26Å | 2.21Å | |
| PB | C3 | sing | 2.26Å | 2.19Å | |
| C1 | H11 | sing | 0.95Å | 1.12Å | |
| C1 | H12 | sing | 0.95Å | 1.12Å | |
| C1 | H13 | sing | 0.95Å | 1.11Å | |
| C2 | H21 | sing | 0.95Å | 1.12Å | |
| C2 | H22 | sing | 0.94Å | 1.11Å | |
| C2 | H23 | sing | 0.95Å | 1.12Å | |
| C3 | H31 | sing | 0.94Å | 1.12Å | |
| C3 | H32 | sing | 0.95Å | 1.12Å | |
| C3 | H33 | sing | 0.94Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | PB | C2 | 119.9° | 120.0° |
| C1 | PB | C3 | 118.9° | 120.0° |
| PB | C1 | H11 | 119.9° | 109.4° |
| PB | C1 | H12 | 108.4° | 109.5° |
| PB | C1 | H13 | 108.4° | 109.5° |
| C2 | PB | C3 | 121.1° | 120.0° |
| PB | C2 | H21 | 119.9° | 109.5° |
| PB | C2 | H22 | 108.5° | 109.5° |
| PB | C2 | H23 | 108.5° | 109.5° |
| PB | C3 | H31 | 118.9° | 109.5° |
| PB | C3 | H32 | 108.8° | 109.4° |
| PB | C3 | H33 | 108.9° | 109.5° |
| H11 | C1 | H12 | 108.5° | 109.5° |
| H11 | C1 | H13 | 108.5° | 109.5° |
| H12 | C1 | H13 | 101.6° | 109.5° |
| H21 | C2 | H22 | 108.4° | 109.4° |
| H21 | C2 | H23 | 108.4° | 109.4° |
| H22 | C2 | H23 | 101.6° | 109.5° |
| H31 | C3 | H32 | 108.8° | 109.5° |
| H31 | C3 | H33 | 108.8° | 109.5° |
| H32 | C3 | H33 | 101.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | PB | C2 | C3 | 176.4° | 179.9° |
| PB | C1 | H11 | H12 | 125.2° | 120.0° |
| PB | C1 | H11 | H13 | 125.3° | 120.0° |
| PB | C1 | H12 | H13 | 114.1° | 120.0° |
| C1 | PB | C2 | H21 | 180.0° | 92.6° |
| C1 | PB | C2 | H22 | 54.7° | 27.4° |
| C1 | PB | C2 | H23 | 54.8° | 147.5° |
| C1 | PB | C3 | H31 | 180.0° | 141.6° |
| C1 | PB | C3 | H32 | 54.8° | 98.4° |
| C1 | PB | C3 | H33 | 54.7° | 21.6° |
| C2 | PB | C1 | H11 | 180.0° | 39.5° |
| C2 | PB | C1 | H12 | 54.8° | 159.5° |
| C2 | PB | C1 | H13 | 54.7° | 80.5° |
| PB | C2 | H21 | H22 | 125.3° | 120.1° |
| PB | C2 | H21 | H23 | 125.2° | 120.0° |
| PB | C2 | H22 | H23 | 114.1° | 120.1° |
| C2 | PB | C3 | H31 | 3.6° | 38.5° |
| C2 | PB | C3 | H32 | 128.8° | 81.5° |
| C2 | PB | C3 | H33 | 121.7° | 158.5° |
| C3 | PB | C1 | H11 | 3.6° | 140.6° |
| C3 | PB | C1 | H12 | 128.8° | 20.6° |
| C3 | PB | C1 | H13 | 121.7° | 99.4° |
| C3 | PB | C2 | H21 | 3.6° | 87.5° |
| C3 | PB | C2 | H22 | 121.6° | 152.5° |
| C3 | PB | C2 | H23 | 128.8° | 32.5° |
| PB | C3 | H31 | H32 | 125.3° | 120.0° |
| PB | C3 | H31 | H33 | 125.3° | 120.0° |
| PB | C3 | H32 | H33 | 114.6° | 120.0° |
| H11 | C1 | H12 | H13 | 114.2° | 120.0° |
| H21 | C2 | H22 | H23 | 114.1° | 119.9° |
| H31 | C3 | H32 | H33 | 114.5° | 120.0° |
