X6N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O56 | P51 | doub | 1.48Å | 1.65Å | |
| O54 | P51 | sing | 1.61Å | 1.65Å | |
| O55 | P51 | sing | 1.61Å | 1.65Å | |
| P51 | O4 | sing | 1.61Å | 1.70Å | |
| O3 | C3 | sing | 1.43Å | 1.46Å | |
| C48 | O47 | sing | 1.43Å | 1.50Å | |
| O47 | C2 | sing | 1.43Å | 1.49Å | |
| O4 | C4 | sing | 1.43Å | 1.35Å | |
| C3 | C4 | sing | 1.53Å | 1.39Å | |
| C3 | C2 | sing | 1.53Å | 1.33Å | |
| C4 | C5 | sing | 1.53Å | 1.43Å | |
| C2 | C1 | sing | 1.53Å | 1.34Å | |
| C5 | C6 | sing | 1.53Å | 1.42Å | |
| C5 | O5 | sing | 1.43Å | 1.39Å | |
| C1 | O5 | sing | 1.43Å | 1.42Å | |
| C6 | O52 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C48 | H6 | sing | 1.09Å | 1.10Å | |
| C48 | H7 | sing | 1.09Å | 1.10Å | |
| C48 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| O3 | H12 | sing | 0.97Å | 0.95Å | |
| O52 | H13 | sing | 0.97Å | 0.95Å | |
| O54 | H14 | sing | 0.97Å | 0.95Å | |
| O55 | H15 | sing | 0.97Å | 0.95Å | |
| C1 | OXT | sing | 1.43Å | 1.42Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O56 | P51 | O54 | 109.5° | 109.5° |
| O56 | P51 | O55 | 109.1° | 109.5° |
| O56 | P51 | O4 | 108.8° | 109.5° |
| O54 | P51 | O55 | 109.5° | 109.5° |
| O54 | P51 | O4 | 109.3° | 109.5° |
| P51 | O54 | H14 | 109.5° | 114.0° |
| O55 | P51 | O4 | 110.7° | 109.5° |
| P51 | O55 | H15 | 109.5° | 114.0° |
| P51 | O4 | C4 | 120.2° | 123.0° |
| O3 | C3 | C4 | 111.2° | 109.6° |
| O3 | C3 | C2 | 107.0° | 109.5° |
| O3 | C3 | H4 | 107.3° | 109.6° |
| C3 | O3 | H12 | 109.5° | 114.1° |
| C48 | O47 | C2 | 113.2° | 114.0° |
| O47 | C48 | H6 | 109.5° | 109.5° |
| O47 | C48 | H7 | 109.5° | 109.5° |
| O47 | C48 | H8 | 109.4° | 109.5° |
| O47 | C2 | C3 | 108.8° | 109.6° |
| O47 | C2 | C1 | 108.9° | 109.5° |
| O47 | C2 | H3 | 107.0° | 109.5° |
| O4 | C4 | C3 | 109.3° | 109.5° |
| O4 | C4 | C5 | 108.4° | 109.5° |
| O4 | C4 | H5 | 110.3° | 109.6° |
| C4 | C3 | C2 | 113.8° | 109.0° |
| C3 | C4 | C5 | 110.0° | 109.2° |
| C4 | C3 | H4 | 108.2° | 109.6° |
| C3 | C4 | H5 | 109.7° | 109.5° |
| C3 | C2 | C1 | 113.6° | 109.2° |
| C3 | C2 | H3 | 109.2° | 109.6° |
| C2 | C3 | H4 | 109.1° | 109.5° |
| C4 | C5 | C6 | 112.3° | 109.5° |
| C4 | C5 | O5 | 111.7° | 109.4° |
| C5 | C4 | H5 | 109.2° | 109.5° |
| C4 | C5 | H9 | 107.2° | 109.5° |
| C2 | C1 | O5 | 113.3° | 109.4° |
| C2 | C1 | H1 | 108.6° | 109.5° |
| C1 | C2 | H3 | 109.1° | 109.6° |
| C2 | C1 | OXT | 108.1° | 109.4° |
| C6 | C5 | O5 | 110.3° | 109.5° |
| C5 | C6 | O52 | 112.7° | 109.5° |
| C6 | C5 | H9 | 107.3° | 109.5° |
| C5 | C6 | H10 | 108.7° | 109.5° |
| C5 | C6 | H11 | 108.6° | 109.5° |
| C5 | O5 | C1 | 115.5° | 114.1° |
| O5 | C5 | H9 | 107.7° | 109.5° |
| O5 | C1 | H1 | 107.5° | 109.5° |
| O5 | C1 | OXT | 111.5° | 109.5° |
| O52 | C6 | H10 | 108.6° | 109.5° |
| O52 | C6 | H11 | 108.6° | 109.4° |
| C6 | O52 | H13 | 109.5° | 114.0° |
| H1 | C1 | OXT | 107.5° | 109.5° |
| H6 | C48 | H7 | 109.5° | 109.5° |
| H6 | C48 | H8 | 109.5° | 109.4° |
| H7 | C48 | H8 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| C1 | OXT | HXT | 109.5° | 113.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O56 | P51 | O54 | O55 | 119.5° | 120.0° |
| O56 | P51 | O54 | O4 | 119.1° | 120.0° |
| O56 | P51 | O55 | O4 | 119.7° | 120.0° |
| O56 | P51 | O4 | C4 | 85.9° | 55.0° |
| O56 | P51 | O54 | H14 | 0.0° | 180.0° |
| O56 | P51 | O55 | H15 | 0.0° | 60.0° |
| O54 | P51 | O55 | O4 | 120.5° | 120.0° |
| O54 | P51 | O4 | C4 | 33.5° | 65.0° |
| O54 | P51 | O55 | H15 | 119.8° | 60.0° |
| O55 | P51 | O4 | C4 | 154.2° | 175.0° |
| O55 | P51 | O54 | H14 | 119.5° | 60.0° |
| P51 | O4 | C4 | C3 | 84.3° | 120.0° |
| P51 | O4 | C4 | C5 | 155.8° | 120.3° |
| P51 | O4 | C4 | H5 | 36.3° | 0.2° |
| O4 | P51 | O54 | H14 | 119.0° | 60.0° |
| O4 | P51 | O55 | H15 | 119.7° | 180.0° |
| O3 | C3 | C2 | O47 | 59.3° | 56.9° |
| O3 | C3 | C4 | O4 | 63.5° | 63.3° |
| O3 | C3 | C4 | C2 | 120.9° | 119.8° |
| O3 | C3 | C4 | H4 | 117.6° | 120.3° |
| O3 | C3 | C2 | H4 | 115.8° | 120.2° |
| O3 | C3 | C4 | C5 | 177.6° | 176.9° |
| O3 | C3 | C2 | C1 | 179.2° | 176.8° |
| O3 | C3 | C2 | H3 | 57.2° | 63.2° |
| O3 | C3 | C4 | H5 | 57.6° | 56.9° |
| C48 | O47 | C2 | C3 | 144.5° | 150.3° |
| C48 | O47 | C2 | C1 | 91.2° | 90.0° |
| C48 | O47 | C2 | H3 | 26.6° | 30.1° |
| O47 | C48 | H6 | H7 | 120.0° | 120.0° |
| O47 | C48 | H6 | H8 | 120.0° | 120.0° |
| O47 | C48 | H7 | H8 | 120.0° | 120.0° |
| O47 | C2 | C3 | C4 | 64.0° | 63.0° |
| O47 | C2 | C3 | C1 | 121.5° | 119.9° |
| O47 | C2 | C3 | H3 | 116.4° | 120.1° |
| O47 | C2 | C1 | H3 | 116.5° | 120.1° |
| O47 | C2 | C1 | O5 | 72.8° | 62.4° |
| O47 | C2 | C1 | H1 | 46.6° | 57.6° |
| O47 | C2 | C3 | H4 | 175.1° | 177.2° |
| C2 | O47 | C48 | H6 | 180.0° | 60.0° |
| C2 | O47 | C48 | H7 | 60.0° | 60.0° |
| C2 | O47 | C48 | H8 | 60.0° | 180.0° |
| O47 | C2 | C1 | OXT | 163.0° | 177.7° |
| O4 | C4 | C3 | C5 | 118.9° | 119.9° |
| O4 | C4 | C3 | H5 | 121.1° | 120.2° |
| O4 | C4 | C3 | C2 | 175.6° | 176.9° |
| O4 | C4 | C5 | H5 | 120.2° | 120.2° |
| O4 | C4 | C5 | C6 | 67.1° | 62.5° |
| O4 | C4 | C5 | O5 | 168.3° | 177.5° |
| O4 | C4 | C3 | H4 | 54.1° | 57.1° |
| O4 | C4 | C5 | H9 | 50.6° | 57.5° |
| C4 | C3 | C2 | H4 | 120.9° | 119.9° |
| C3 | C4 | C5 | H5 | 120.4° | 119.9° |
| C4 | C3 | C2 | C1 | 57.5° | 57.0° |
| C3 | C4 | C5 | C6 | 173.5° | 177.6° |
| C3 | C4 | C5 | O5 | 48.8° | 57.7° |
| C4 | C3 | C2 | H3 | 179.6° | 176.9° |
| C3 | C4 | C5 | H9 | 68.9° | 62.4° |
| C4 | C3 | O3 | H12 | 48.1° | 180.0° |
| C2 | C3 | C4 | C5 | 56.7° | 57.0° |
| C3 | C2 | C1 | H3 | 122.1° | 120.0° |
| C3 | C2 | C1 | O5 | 48.6° | 57.6° |
| C3 | C2 | C1 | H1 | 168.0° | 177.6° |
| C2 | C3 | C4 | H5 | 63.4° | 62.9° |
| C2 | C3 | O3 | H12 | 172.9° | 60.4° |
| C3 | C2 | C1 | OXT | 75.6° | 62.4° |
| C4 | C5 | C6 | O5 | 125.4° | 119.9° |
| C4 | C5 | C6 | H9 | 117.6° | 120.1° |
| C4 | C5 | O5 | H9 | 117.5° | 120.0° |
| C4 | C5 | O5 | C1 | 43.4° | 61.2° |
| C4 | C5 | C6 | O52 | 132.8° | 175.0° |
| C5 | C4 | C3 | H4 | 64.8° | 62.8° |
| C4 | C5 | C6 | H10 | 12.3° | 55.0° |
| C4 | C5 | C6 | H11 | 106.8° | 65.0° |
| C2 | C1 | O5 | C5 | 42.9° | 61.2° |
| C2 | C1 | O5 | H1 | 120.1° | 120.0° |
| C2 | C1 | O5 | OXT | 122.3° | 119.9° |
| C2 | C1 | H1 | OXT | 116.8° | 120.0° |
| C1 | C2 | C3 | H4 | 63.4° | 62.9° |
| C2 | C1 | OXT | HXT | 180.0° | 180.0° |
| C6 | C5 | O5 | H9 | 116.8° | 120.0° |
| C6 | C5 | O5 | C1 | 169.1° | 178.8° |
| C5 | C6 | O52 | H10 | 120.5° | 120.0° |
| C5 | C6 | O52 | H11 | 120.4° | 120.0° |
| C6 | C5 | C4 | H5 | 53.1° | 57.7° |
| C5 | C6 | H10 | H11 | 118.5° | 120.0° |
| C5 | C6 | O52 | H13 | 180.0° | 180.0° |
| O5 | C5 | C6 | O52 | 101.9° | 65.1° |
| C5 | O5 | C1 | H1 | 163.0° | 178.8° |
| O5 | C5 | C4 | H5 | 71.5° | 62.2° |
| O5 | C5 | C6 | H10 | 137.7° | 174.9° |
| O5 | C5 | C6 | H11 | 18.6° | 54.9° |
| C5 | O5 | C1 | OXT | 79.4° | 58.7° |
| O5 | C1 | H1 | OXT | 120.2° | 120.1° |
| O5 | C1 | C2 | H3 | 170.8° | 177.5° |
| C1 | O5 | C5 | H9 | 74.1° | 58.8° |
| O5 | C1 | OXT | HXT | 54.7° | 60.1° |
| O52 | C6 | C5 | H9 | 15.2° | 55.0° |
| O52 | C6 | H10 | H11 | 118.5° | 119.9° |
| H1 | C1 | C2 | H3 | 69.8° | 62.4° |
| H1 | C1 | OXT | HXT | 62.9° | 60.0° |
| H3 | C2 | C3 | H4 | 58.6° | 57.1° |
| H3 | C2 | C1 | OXT | 46.6° | 57.6° |
| H4 | C3 | C4 | H5 | 175.2° | 177.3° |
| H4 | C3 | O3 | H12 | 70.1° | 59.7° |
| H5 | C4 | C5 | H9 | 170.7° | 177.7° |
| H6 | C48 | H7 | H8 | 120.0° | 120.0° |
| H9 | C5 | C6 | H10 | 105.3° | 65.0° |
| H9 | C5 | C6 | H11 | 135.6° | 174.9° |
| H10 | C6 | O52 | H13 | 59.5° | 60.0° |
| H11 | C6 | O52 | H13 | 59.5° | 60.0° |
