I83
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | N21 | sing | 1.47Å | 1.24Å | |
| C19 | N21 | sing | 1.47Å | 1.27Å | |
| N21 | PT | sing | 2.09Å | 1.88Å | |
| PT | N18 | sing | 2.09Å | 1.86Å | |
| C17 | N18 | sing | 1.47Å | 1.25Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| N18 | H4 | sing | 1.01Å | 1.00Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| PT | CL1 | sing | 2.36Å | 9.64Å | |
| PT | CL2 | sing | 2.36Å | 9.64Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | N21 | C19 | 123.6° | 111.0° |
| C22 | N21 | PT | 116.4° | 111.0° |
| N21 | C22 | H5 | 109.5° | 109.5° |
| N21 | C22 | H6 | 109.4° | 109.5° |
| N21 | C22 | H7 | 109.5° | 109.5° |
| C19 | N21 | PT | 119.9° | 111.0° |
| N21 | C19 | H8 | 109.5° | 109.5° |
| N21 | C19 | H9 | 109.5° | 109.5° |
| N21 | C19 | H10 | 109.5° | 109.4° |
| N21 | PT | N18 | 177.8° | 109.5° |
| N21 | PT | CL1 | 149.9° | 109.5° |
| N21 | PT | CL2 | 149.9° | 109.5° |
| PT | N18 | C17 | 110.0° | 111.0° |
| PT | N18 | H4 | 109.3° | 111.0° |
| N18 | PT | CL1 | 31.8° | 109.5° |
| N18 | PT | CL2 | 31.8° | 109.5° |
| N18 | C17 | H1 | 109.5° | 109.5° |
| N18 | C17 | H2 | 109.5° | 109.4° |
| N18 | C17 | H3 | 109.5° | 109.5° |
| C17 | N18 | H4 | 109.3° | 111.0° |
| H1 | C17 | H2 | 109.4° | 109.5° |
| H1 | C17 | H3 | 109.5° | 109.5° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H5 | C22 | H6 | 109.5° | 109.5° |
| H5 | C22 | H7 | 109.5° | 109.4° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H8 | C19 | H9 | 109.5° | 109.5° |
| H8 | C19 | H10 | 109.5° | 109.5° |
| H9 | C19 | H10 | 109.4° | 109.5° |
| CL1 | PT | CL2 | 0.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | N21 | C19 | PT | 175.8° | 123.9° |
| C22 | N21 | PT | N18 | 78.9° | 180.0° |
| N21 | C22 | H5 | H6 | 120.0° | 120.0° |
| N21 | C22 | H5 | H7 | 120.0° | 120.0° |
| N21 | C22 | H6 | H7 | 120.0° | 120.0° |
| C22 | N21 | C19 | H8 | 180.0° | 176.0° |
| C22 | N21 | C19 | H9 | 60.0° | 56.0° |
| C22 | N21 | C19 | H10 | 60.0° | 63.9° |
| C22 | N21 | PT | CL1 | 140.1° | 60.0° |
| C22 | N21 | PT | CL2 | 140.1° | 60.0° |
| C19 | N21 | PT | N18 | 97.2° | 56.0° |
| C19 | N21 | C22 | H5 | 180.0° | 64.0° |
| C19 | N21 | C22 | H6 | 60.0° | 56.0° |
| C19 | N21 | C22 | H7 | 60.0° | 176.0° |
| N21 | C19 | H8 | H9 | 120.0° | 120.0° |
| N21 | C19 | H8 | H10 | 120.0° | 120.0° |
| N21 | C19 | H9 | H10 | 120.0° | 119.9° |
| C19 | N21 | PT | CL1 | 43.8° | 176.1° |
| C19 | N21 | PT | CL2 | 43.8° | 63.9° |
| N21 | PT | N18 | CL1 | 143.3° | 120.0° |
| N21 | PT | N18 | CL2 | 143.3° | 120.0° |
| N21 | PT | N18 | C17 | 90.6° | 180.0° |
| N21 | PT | N18 | H4 | 29.4° | 56.1° |
| PT | N21 | C22 | H5 | 4.1° | 60.0° |
| PT | N21 | C22 | H6 | 124.1° | 180.0° |
| PT | N21 | C22 | H7 | 115.9° | 60.0° |
| PT | N21 | C19 | H8 | 4.2° | 60.0° |
| PT | N21 | C19 | H9 | 115.8° | 180.0° |
| PT | N21 | C19 | H10 | 124.3° | 60.0° |
| N21 | PT | CL1 | CL2 | 90.0° | 120.0° |
| PT | N18 | C17 | H4 | 120.1° | 123.9° |
| PT | N18 | C17 | H1 | 180.0° | 60.0° |
| PT | N18 | C17 | H2 | 60.0° | 59.9° |
| PT | N18 | C17 | H3 | 60.0° | 179.9° |
| N18 | PT | CL1 | CL2 | 90.0° | 120.0° |
| N18 | C17 | H1 | H2 | 120.0° | 119.9° |
| N18 | C17 | H1 | H3 | 120.0° | 120.0° |
| N18 | C17 | H2 | H3 | 120.0° | 120.0° |
| C17 | N18 | PT | CL1 | 126.1° | 60.0° |
| C17 | N18 | PT | CL2 | 126.1° | 60.0° |
| H1 | C17 | H2 | H3 | 120.0° | 120.0° |
| H1 | C17 | N18 | H4 | 59.9° | 176.1° |
| H2 | C17 | N18 | H4 | 179.9° | 64.0° |
| H3 | C17 | N18 | H4 | 60.1° | 56.0° |
| H4 | N18 | PT | CL1 | 113.8° | 63.9° |
| H4 | N18 | PT | CL2 | 113.8° | 176.1° |
| H5 | C22 | H6 | H7 | 120.0° | 119.9° |
| H8 | C19 | H9 | H10 | 120.0° | 120.0° |
