9QB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | trip | 1.22Å | 1.08Å | |
| O1 | C1 | trip | 1.22Å | 1.06Å | |
| C2 | RU1 | sing | 1.92Å | 1.86Å | |
| C1 | RU1 | sing | 1.92Å | 1.82Å | |
| CL1 | RU1 | sing | 2.38Å | 2.00Å | |
| RU1 | C3 | sing | 1.92Å | 1.91Å | |
| RU1 | O4 | sing | 2.10Å | 2.31Å | |
| C3 | O3 | trip | 1.22Å | 1.06Å | |
| O4 | H10 | sing | 0.86Å | 0.95Å | |
| O4 | H11 | sing | 0.86Å | 0.95Å | |
| RU1 | O5 | sing | 2.10Å | 14.02Å | |
| O5 | H12 | sing | 0.86Å | 0.00Å | |
| O5 | H13 | sing | 0.86Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | RU1 | 178.4° | 180.0° |
| O1 | C1 | RU1 | 175.7° | 180.0° |
| C2 | RU1 | C1 | 80.3° | 90.0° |
| C2 | RU1 | CL1 | 73.7° | 180.0° |
| C2 | RU1 | C3 | 99.4° | 90.0° |
| C2 | RU1 | O4 | 101.4° | 90.0° |
| C2 | RU1 | O5 | 77.2° | 90.0° |
| C1 | RU1 | CL1 | 88.9° | 90.0° |
| C1 | RU1 | C3 | 92.6° | 90.0° |
| C1 | RU1 | O4 | 177.9° | 90.0° |
| C1 | RU1 | O5 | 149.9° | 180.0° |
| CL1 | RU1 | C3 | 172.6° | 90.0° |
| CL1 | RU1 | O4 | 92.6° | 90.0° |
| CL1 | RU1 | O5 | 65.7° | 90.0° |
| C3 | RU1 | O4 | 86.0° | 180.0° |
| RU1 | C3 | O3 | 175.7° | 180.0° |
| C3 | RU1 | O5 | 110.6° | 90.0° |
| RU1 | O4 | H10 | 109.5° | 109.4° |
| RU1 | O4 | H11 | 109.5° | 109.4° |
| O4 | RU1 | O5 | 32.1° | 90.0° |
| H10 | O4 | H11 | 109.5° | 107.4° |
| RU1 | O5 | H12 | 90.0° | 109.4° |
| RU1 | O5 | H13 | 90.0° | 109.5° |
| H12 | O5 | H13 | 90.0° | 107.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | RU1 | C1 | 10.7° | 35.3° |
| O2 | C2 | RU1 | CL1 | 81.0° | 23.9° |
| O2 | C2 | RU1 | C3 | 101.8° | 125.3° |
| O2 | C2 | RU1 | O4 | 170.4° | 54.6° |
| O2 | C2 | RU1 | O5 | 149.1° | 144.6° |
| O1 | C1 | RU1 | C2 | 113.1° | 47.5° |
| O1 | C1 | RU1 | CL1 | 173.2° | 132.5° |
| O1 | C1 | RU1 | C3 | 14.0° | 137.5° |
| O1 | C1 | RU1 | O4 | 35.3° | 42.5° |
| O1 | C1 | RU1 | O5 | 155.3° | 95.0° |
| C2 | RU1 | C1 | CL1 | 73.6° | 180.0° |
| C2 | RU1 | C1 | C3 | 99.1° | 90.0° |
| C2 | RU1 | C1 | O4 | 148.5° | 90.0° |
| C2 | RU1 | C1 | O5 | 42.2° | 142.5° |
| C2 | RU1 | CL1 | C3 | 21.7° | 149.2° |
| C2 | RU1 | CL1 | O4 | 101.1° | 30.8° |
| C2 | RU1 | CL1 | O5 | 83.1° | 120.8° |
| C2 | RU1 | C3 | O4 | 101.0° | 26.7° |
| C2 | RU1 | C3 | O5 | 79.8° | 90.0° |
| C2 | RU1 | O4 | O5 | 41.8° | 90.0° |
| C2 | RU1 | C3 | O3 | 98.8° | 128.4° |
| C2 | RU1 | O4 | H10 | 180.0° | 17.3° |
| C2 | RU1 | O4 | H11 | 60.0° | 134.7° |
| C2 | RU1 | O5 | H12 | 90.0° | 14.1° |
| C2 | RU1 | O5 | H13 | 90.0° | 131.7° |
| C1 | RU1 | CL1 | C3 | 102.0° | 90.0° |
| C1 | RU1 | CL1 | O4 | 178.6° | 90.0° |
| C1 | RU1 | CL1 | O5 | 163.3° | 180.0° |
| C1 | RU1 | C3 | O4 | 178.4° | 63.3° |
| C1 | RU1 | C3 | O5 | 160.4° | 180.0° |
| C1 | RU1 | O4 | O5 | 170.0° | 180.0° |
| C1 | RU1 | C3 | O3 | 18.1° | 38.4° |
| C1 | RU1 | O4 | H10 | 31.7° | 107.3° |
| C1 | RU1 | O4 | H11 | 88.3° | 135.3° |
| C1 | RU1 | O5 | H12 | 90.0° | 128.4° |
| C1 | RU1 | O5 | H13 | 90.0° | 10.8° |
| CL1 | RU1 | C3 | O4 | 79.9° | 153.3° |
| CL1 | RU1 | C3 | O5 | 58.7° | 90.0° |
| CL1 | RU1 | O4 | O5 | 32.1° | 90.0° |
| CL1 | RU1 | C3 | O3 | 119.9° | 51.6° |
| CL1 | RU1 | O4 | H10 | 106.1° | 162.7° |
| CL1 | RU1 | O4 | H11 | 133.9° | 45.3° |
| CL1 | RU1 | O5 | H12 | 90.0° | 165.8° |
| CL1 | RU1 | O5 | H13 | 90.0° | 48.3° |
| C3 | RU1 | O4 | O5 | 140.6° | 116.7° |
| C3 | RU1 | O4 | H10 | 81.2° | 44.0° |
| C3 | RU1 | O4 | H11 | 38.8° | 161.4° |
| C3 | RU1 | O5 | H12 | 90.0° | 104.1° |
| C3 | RU1 | O5 | H13 | 90.0° | 138.4° |
| O4 | RU1 | C3 | O3 | 160.3° | 101.6° |
| RU1 | O4 | H10 | H11 | 120.0° | 118.7° |
| O4 | RU1 | O5 | H12 | 90.0° | 75.9° |
| O4 | RU1 | O5 | H13 | 90.0° | 41.7° |
| O3 | C3 | RU1 | O5 | 178.6° | 141.6° |
| H10 | O4 | RU1 | O5 | 138.2° | 72.7° |
| H11 | O4 | RU1 | O5 | 101.8° | 44.7° |
| RU1 | O5 | H12 | H13 | 90.0° | 118.8° |
