D7Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C6 | C1 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| N1 | C1 | sing | 1.51Å | 1.48Å | |
| N1 | PT8 | sing | 2.13Å | 2.03Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | N2 | sing | 1.52Å | 1.48Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| N2 | PT8 | sing | 2.14Å | 2.04Å | |
| PT8 | CL1 | sing | 2.36Å | 2.43Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| N1 | H5 | sing | 1.01Å | 1.00Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.09Å | 1.10Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.09Å | 1.10Å | |
| N2 | H12 | sing | 1.01Å | 1.00Å | |
| PT8 | CL2 | sing | 2.36Å | 34.60Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C3 | C4 | 111.6° | 109.4° |
| C3 | C2 | C1 | 111.8° | 109.9° |
| C3 | C2 | N2 | 112.5° | 107.4° |
| C2 | C3 | H1 | 109.0° | 109.5° |
| C2 | C3 | H2 | 108.9° | 109.5° |
| C3 | C2 | H7 | 107.4° | 107.9° |
| C3 | C4 | C5 | 113.5° | 109.6° |
| C4 | C3 | H1 | 108.9° | 109.5° |
| C4 | C3 | H2 | 109.0° | 109.5° |
| C3 | C4 | H8 | 108.5° | 109.5° |
| C3 | C4 | H9 | 108.5° | 109.5° |
| C1 | C6 | C5 | 111.8° | 109.4° |
| C6 | C1 | N1 | 112.1° | 107.9° |
| C6 | C1 | C2 | 111.5° | 109.9° |
| C1 | C6 | H3 | 108.9° | 109.5° |
| C1 | C6 | H4 | 108.9° | 109.5° |
| C6 | C1 | H6 | 107.8° | 106.9° |
| C6 | C5 | C4 | 113.4° | 109.5° |
| C5 | C6 | H3 | 108.9° | 109.5° |
| C5 | C6 | H4 | 108.9° | 109.5° |
| C6 | C5 | H10 | 108.5° | 109.4° |
| C6 | C5 | H11 | 108.5° | 109.4° |
| C1 | N1 | PT8 | 106.2° | 96.8° |
| N1 | C1 | C2 | 109.1° | 117.8° |
| C1 | N1 | H5 | 110.3° | 111.1° |
| N1 | C1 | H6 | 108.5° | 107.1° |
| N1 | PT8 | N2 | 87.0° | 95.0° |
| N1 | PT8 | CL1 | 178.6° | 112.2° |
| PT8 | N1 | H5 | 110.3° | 111.0° |
| N1 | PT8 | CL2 | 128.7° | 112.2° |
| C1 | C2 | N2 | 109.5° | 115.9° |
| C2 | C1 | H6 | 107.8° | 106.7° |
| C1 | C2 | H7 | 107.4° | 108.1° |
| C2 | N2 | PT8 | 106.2° | 95.1° |
| N2 | C2 | H7 | 108.1° | 107.4° |
| C2 | N2 | H12 | 110.3° | 111.0° |
| C5 | C4 | H8 | 108.5° | 109.4° |
| C5 | C4 | H9 | 108.5° | 109.4° |
| C4 | C5 | H10 | 108.5° | 109.5° |
| C4 | C5 | H11 | 108.5° | 109.5° |
| N2 | PT8 | CL1 | 92.0° | 112.2° |
| PT8 | N2 | H12 | 110.3° | 111.0° |
| N2 | PT8 | CL2 | 90.8° | 112.2° |
| CL1 | PT8 | CL2 | 50.4° | 111.9° |
| H1 | C3 | H2 | 109.5° | 109.5° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H8 | C4 | H9 | 109.5° | 109.4° |
| H10 | C5 | H11 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C3 | C4 | H1 | 120.3° | 119.9° |
| C2 | C3 | C4 | H2 | 120.3° | 119.9° |
| C3 | C2 | C1 | C6 | 57.1° | 59.4° |
| C3 | C2 | C1 | N1 | 178.5° | 176.5° |
| C3 | C2 | C1 | N2 | 125.4° | 121.9° |
| C3 | C2 | C1 | H7 | 117.5° | 117.6° |
| C3 | C2 | N2 | H7 | 118.4° | 115.9° |
| C2 | C3 | C4 | C5 | 49.9° | 59.9° |
| C3 | C2 | N2 | PT8 | 163.1° | 163.5° |
| C2 | C3 | H1 | H2 | 119.0° | 120.0° |
| C3 | C2 | C1 | H6 | 61.0° | 56.1° |
| C2 | C3 | C4 | H8 | 170.5° | 179.9° |
| C2 | C3 | C4 | H9 | 70.7° | 60.2° |
| C3 | C2 | N2 | H12 | 77.4° | 81.6° |
| C3 | C4 | C5 | C6 | 48.1° | 60.3° |
| C4 | C3 | C2 | C1 | 54.4° | 59.4° |
| C4 | C3 | C2 | N2 | 178.1° | 173.7° |
| C3 | C4 | C5 | H8 | 120.6° | 120.0° |
| C3 | C4 | C5 | H9 | 120.6° | 120.1° |
| C4 | C3 | H1 | H2 | 119.0° | 120.1° |
| C4 | C3 | C2 | H7 | 63.1° | 58.3° |
| C3 | C4 | H8 | H9 | 118.2° | 120.0° |
| C3 | C4 | C5 | H10 | 168.7° | 179.7° |
| C3 | C4 | C5 | H11 | 72.5° | 59.7° |
| C1 | C6 | C5 | H3 | 120.3° | 119.9° |
| C1 | C6 | C5 | H4 | 120.3° | 120.0° |
| C6 | C1 | N1 | C2 | 124.0° | 125.1° |
| C6 | C1 | N1 | H6 | 118.9° | 114.7° |
| C6 | C1 | N1 | PT8 | 162.9° | 154.2° |
| C6 | C1 | C2 | H6 | 118.1° | 115.5° |
| C6 | C1 | C2 | N2 | 177.5° | 178.7° |
| C1 | C6 | C5 | C4 | 50.0° | 59.8° |
| C1 | C6 | H3 | H4 | 118.9° | 120.1° |
| C6 | C1 | N1 | H5 | 77.6° | 90.1° |
| C6 | C1 | C2 | H7 | 60.4° | 58.1° |
| C1 | C6 | C5 | H10 | 170.5° | 179.9° |
| C1 | C6 | C5 | H11 | 70.6° | 60.2° |
| C5 | C6 | C1 | N1 | 177.0° | 170.9° |
| C5 | C6 | C1 | C2 | 54.3° | 59.4° |
| C6 | C5 | C4 | H10 | 120.6° | 120.0° |
| C6 | C5 | C4 | H11 | 120.6° | 119.9° |
| C5 | C6 | H3 | H4 | 119.0° | 120.1° |
| C5 | C6 | C1 | H6 | 63.8° | 56.0° |
| C6 | C5 | C4 | H8 | 168.7° | 179.7° |
| C6 | C5 | C4 | H9 | 72.4° | 59.8° |
| C6 | C5 | H10 | H11 | 118.2° | 119.9° |
| C1 | N1 | PT8 | H5 | 119.5° | 115.7° |
| N1 | C1 | C2 | H6 | 117.6° | 120.4° |
| N1 | C1 | C2 | N2 | 53.1° | 54.6° |
| C1 | N1 | PT8 | N2 | 14.5° | 4.1° |
| C1 | N1 | PT8 | CL1 | 26.1° | 120.6° |
| N1 | C1 | C6 | H3 | 56.6° | 69.2° |
| N1 | C1 | C6 | H4 | 62.7° | 50.9° |
| N1 | C1 | C2 | H7 | 64.0° | 65.9° |
| C1 | N1 | PT8 | CL2 | 74.2° | 112.4° |
| PT8 | N1 | C1 | C2 | 39.0° | 29.2° |
| N1 | PT8 | N2 | C2 | 13.3° | 18.9° |
| N1 | PT8 | N2 | CL1 | 179.1° | 116.5° |
| N1 | PT8 | N2 | CL2 | 128.7° | 116.5° |
| N1 | PT8 | CL1 | CL2 | 48.9° | 127.2° |
| PT8 | N1 | C1 | H6 | 78.2° | 91.0° |
| N1 | PT8 | N2 | H12 | 132.8° | 133.8° |
| C1 | C2 | N2 | H7 | 116.7° | 120.9° |
| C1 | C2 | N2 | PT8 | 38.1° | 40.3° |
| C1 | C2 | C3 | H1 | 65.9° | 60.5° |
| C1 | C2 | C3 | H2 | 174.8° | 179.4° |
| C2 | C1 | C6 | H3 | 66.0° | 60.5° |
| C2 | C1 | C6 | H4 | 174.7° | 179.4° |
| C2 | C1 | N1 | H5 | 158.5° | 144.8° |
| C1 | C2 | N2 | H12 | 157.6° | 155.2° |
| C2 | N2 | PT8 | H12 | 119.5° | 114.9° |
| C2 | N2 | PT8 | CL1 | 167.6° | 97.6° |
| N2 | C2 | C3 | H1 | 57.8° | 66.3° |
| N2 | C2 | C3 | H2 | 61.5° | 53.8° |
| N2 | C2 | C1 | H6 | 64.5° | 65.8° |
| C2 | N2 | PT8 | CL2 | 142.0° | 135.3° |
| C5 | C4 | C3 | H1 | 70.4° | 60.1° |
| C5 | C4 | C3 | H2 | 170.2° | 179.8° |
| C4 | C5 | C6 | H3 | 70.4° | 60.1° |
| C4 | C5 | C6 | H4 | 170.3° | 179.8° |
| C5 | C4 | H8 | H9 | 118.2° | 119.9° |
| C4 | C5 | H10 | H11 | 118.2° | 120.0° |
| N2 | PT8 | CL1 | CL2 | 89.5° | 127.2° |
| N2 | PT8 | N1 | H5 | 134.0° | 119.8° |
| PT8 | N2 | C2 | H7 | 78.5° | 80.6° |
| CL1 | PT8 | N1 | H5 | 93.4° | 123.7° |
| CL1 | PT8 | N2 | H12 | 48.0° | 17.3° |
| H1 | C3 | C2 | H7 | 176.6° | 178.2° |
| H1 | C3 | C4 | H8 | 50.2° | 59.9° |
| H1 | C3 | C4 | H9 | 169.0° | 179.9° |
| H2 | C3 | C2 | H7 | 57.2° | 61.7° |
| H2 | C3 | C4 | H8 | 69.2° | 60.2° |
| H2 | C3 | C4 | H9 | 49.6° | 59.8° |
| H3 | C6 | C1 | H6 | 175.9° | 175.9° |
| H3 | C6 | C5 | H10 | 50.2° | 60.0° |
| H3 | C6 | C5 | H11 | 169.0° | 179.9° |
| H4 | C6 | C1 | H6 | 56.6° | 64.0° |
| H4 | C6 | C5 | H10 | 69.1° | 60.2° |
| H4 | C6 | C5 | H11 | 49.7° | 59.7° |
| H5 | N1 | C1 | H6 | 41.3° | 24.6° |
| H5 | N1 | PT8 | CL2 | 45.3° | 3.3° |
| H6 | C1 | C2 | H7 | 178.4° | 173.7° |
| H7 | C2 | N2 | H12 | 40.9° | 34.3° |
| H8 | C4 | C5 | H10 | 70.7° | 59.7° |
| H8 | C4 | C5 | H11 | 48.1° | 60.4° |
| H9 | C4 | C5 | H10 | 48.1° | 60.2° |
| H9 | C4 | C5 | H11 | 167.0° | 179.8° |
| H12 | N2 | PT8 | CL2 | 98.5° | 109.8° |
