PTN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| PT | N1 | sing | 2.01Å | 2.03Å | |
| PT | N2 | sing | 2.01Å | 2.00Å | |
| PT | N3 | sing | 1.94Å | 2.04Å | |
| N1 | H11 | sing | 0.90Å | 1.00Å | |
| N1 | H12 | sing | 0.90Å | 1.00Å | |
| N1 | H13 | sing | 0.90Å | 1.00Å | |
| N2 | H21 | sing | 0.90Å | 1.00Å | |
| N2 | H22 | sing | 0.90Å | 1.00Å | |
| N2 | H23 | sing | 0.90Å | 1.00Å | |
| N3 | H31 | sing | 0.90Å | 1.00Å | |
| N3 | H32 | sing | 0.90Å | 1.00Å | |
| N3 | H33 | sing | 0.90Å | 1.00Å | |
| CL1 | PT | sing | 2.30Å | 37.14Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | PT | N2 | 179.1° | 168.0° |
| N1 | PT | N3 | 89.7° | 84.4° |
| PT | N1 | H11 | 109.5° | 111.2° |
| PT | N1 | H12 | 109.5° | 110.7° |
| PT | N1 | H13 | 109.5° | 110.8° |
| N1 | PT | CL1 | 24.4° | 94.4° |
| N2 | PT | N3 | 91.1° | 87.3° |
| PT | N2 | H21 | 109.5° | 110.9° |
| PT | N2 | H22 | 109.5° | 110.9° |
| PT | N2 | H23 | 109.5° | 110.9° |
| N2 | PT | CL1 | 155.5° | 94.2° |
| PT | N3 | H31 | 109.5° | 112.6° |
| PT | N3 | H32 | 109.5° | 110.4° |
| PT | N3 | H33 | 109.5° | 110.3° |
| N3 | PT | CL1 | 95.2° | 177.9° |
| H11 | N1 | H12 | 109.5° | 107.9° |
| H11 | N1 | H13 | 109.5° | 108.0° |
| H12 | N1 | H13 | 109.5° | 108.0° |
| H21 | N2 | H22 | 109.5° | 108.0° |
| H21 | N2 | H23 | 109.4° | 108.0° |
| H22 | N2 | H23 | 109.5° | 108.0° |
| H31 | N3 | H32 | 109.5° | 107.8° |
| H31 | N3 | H33 | 109.4° | 107.8° |
| H32 | N3 | H33 | 109.4° | 107.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | PT | N2 | N3 | 172.8° | 46.6° |
| N1 | PT | N2 | CL1 | 81.9° | 134.9° |
| N1 | PT | N3 | CL1 | 23.8° | 54.0° |
| PT | N1 | H11 | H12 | 120.0° | 121.6° |
| PT | N1 | H11 | H13 | 120.0° | 121.8° |
| PT | N1 | H12 | H13 | 120.0° | 121.5° |
| N1 | PT | N2 | H21 | 180.0° | 107.7° |
| N1 | PT | N2 | H22 | 60.0° | 12.3° |
| N1 | PT | N2 | H23 | 60.0° | 132.3° |
| N1 | PT | N3 | H31 | 180.0° | 170.7° |
| N1 | PT | N3 | H32 | 60.0° | 68.8° |
| N1 | PT | N3 | H33 | 60.0° | 50.3° |
| N2 | PT | N3 | CL1 | 156.3° | 134.8° |
| N2 | PT | N1 | H11 | 180.0° | 83.7° |
| N2 | PT | N1 | H12 | 60.0° | 156.3° |
| N2 | PT | N1 | H13 | 60.0° | 36.4° |
| PT | N2 | H21 | H22 | 120.0° | 121.7° |
| PT | N2 | H21 | H23 | 120.0° | 121.7° |
| PT | N2 | H22 | H23 | 120.0° | 121.7° |
| N2 | PT | N3 | H31 | 0.1° | 0.5° |
| N2 | PT | N3 | H32 | 119.9° | 120.0° |
| N2 | PT | N3 | H33 | 120.1° | 120.9° |
| N3 | PT | N1 | H11 | 7.2° | 36.9° |
| N3 | PT | N1 | H12 | 112.8° | 156.9° |
| N3 | PT | N1 | H13 | 127.2° | 83.3° |
| N3 | PT | N2 | H21 | 7.2° | 61.1° |
| N3 | PT | N2 | H22 | 127.2° | 59.0° |
| N3 | PT | N2 | H23 | 112.8° | 178.9° |
| PT | N3 | H31 | H32 | 120.0° | 122.0° |
| PT | N3 | H31 | H33 | 120.0° | 121.9° |
| PT | N3 | H32 | H33 | 120.0° | 120.6° |
| H11 | N1 | H12 | H13 | 120.0° | 116.5° |
| H11 | N1 | PT | CL1 | 96.2° | 141.4° |
| H12 | N1 | PT | CL1 | 143.8° | 21.4° |
| H13 | N1 | PT | CL1 | 23.8° | 98.5° |
| H21 | N2 | H22 | H23 | 120.0° | 116.6° |
| H21 | N2 | PT | CL1 | 98.2° | 117.4° |
| H22 | N2 | PT | CL1 | 21.9° | 122.6° |
| H23 | N2 | PT | CL1 | 141.9° | 2.6° |
| H31 | N3 | H32 | H33 | 120.0° | 116.1° |
| H31 | N3 | PT | CL1 | 156.2° | 135.2° |
| H32 | N3 | PT | CL1 | 83.8° | 14.8° |
| H33 | N3 | PT | CL1 | 36.2° | 104.3° |
