73M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | PT1 | sing | 2.09Å | 2.10Å | |
| PT1 | N2 | sing | 2.09Å | 2.06Å | |
| PT1 | CL1 | sing | 2.36Å | 2.12Å | |
| PT1 | O2 | sing | 2.00Å | 2.18Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| N1 | H2 | sing | 1.01Å | 1.00Å | |
| N2 | H3 | sing | 1.01Å | 1.00Å | |
| N2 | H4 | sing | 1.01Å | 1.00Å | |
| O2 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | PT1 | N2 | 98.9° | 109.5° |
| N1 | PT1 | CL1 | 94.2° | 109.4° |
| N1 | PT1 | O2 | 176.5° | 109.5° |
| PT1 | N1 | H1 | 109.5° | 111.1° |
| PT1 | N1 | H2 | 109.5° | 111.0° |
| N2 | PT1 | CL1 | 163.0° | 109.5° |
| N2 | PT1 | O2 | 78.3° | 109.5° |
| PT1 | N2 | H3 | 109.5° | 111.0° |
| PT1 | N2 | H4 | 109.5° | 111.0° |
| CL1 | PT1 | O2 | 88.1° | 109.5° |
| PT1 | O2 | H5 | 109.5° | 114.1° |
| H1 | N1 | H2 | 109.4° | 111.0° |
| H3 | N2 | H4 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | PT1 | N2 | CL1 | 139.8° | 120.0° |
| N1 | PT1 | N2 | O2 | 177.8° | 120.0° |
| N1 | PT1 | CL1 | O2 | 177.3° | 120.0° |
| PT1 | N1 | H1 | H2 | 120.0° | 124.0° |
| N1 | PT1 | N2 | H3 | 180.0° | 176.1° |
| N1 | PT1 | N2 | H4 | 60.0° | 60.0° |
| N1 | PT1 | O2 | H5 | 180.0° | 59.9° |
| N2 | PT1 | CL1 | O2 | 37.1° | 120.0° |
| N2 | PT1 | N1 | H1 | 180.0° | 176.0° |
| N2 | PT1 | N1 | H2 | 60.0° | 60.0° |
| PT1 | N2 | H3 | H4 | 120.0° | 124.0° |
| N2 | PT1 | O2 | H5 | 141.2° | 180.0° |
| CL1 | PT1 | N1 | H1 | 10.9° | 56.1° |
| CL1 | PT1 | N1 | H2 | 130.9° | 180.0° |
| CL1 | PT1 | N2 | H3 | 40.2° | 64.0° |
| CL1 | PT1 | N2 | H4 | 79.8° | 59.9° |
| CL1 | PT1 | O2 | H5 | 49.1° | 60.0° |
| O2 | PT1 | N1 | H1 | 141.7° | 63.9° |
| O2 | PT1 | N1 | H2 | 98.4° | 60.0° |
| O2 | PT1 | N2 | H3 | 2.2° | 56.0° |
| O2 | PT1 | N2 | H4 | 117.8° | 179.9° |
