9QB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | trip | 1.00Å | 1.08Å | |
| O1 | C1 | trip | 1.00Å | 1.06Å | |
| C2 | RU1 | sing | 1.83Å | 1.86Å | |
| C1 | RU1 | sing | 1.83Å | 1.82Å | |
| CL1 | RU1 | sing | 2.42Å | 2.00Å | |
| RU1 | C3 | sing | 1.83Å | 1.91Å | |
| RU1 | O4 | sing | 1.84Å | 2.31Å | |
| C3 | O3 | trip | 1.00Å | 1.06Å | |
| O4 | H10 | sing | 0.97Å | 0.95Å | |
| O4 | H11 | sing | 0.97Å | 0.95Å | |
| RU1 | O5 | sing | 1.84Å | 14.02Å | |
| O5 | H12 | sing | 0.97Å | 0.00Å | |
| O5 | H13 | sing | 0.97Å | 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° | 114.1° |
| RU1 | O4 | H11 | 109.5° | 114.0° |
| O4 | RU1 | O5 | 32.1° | 90.0° |
| H10 | O4 | H11 | 109.5° | 114.0° |
| RU1 | O5 | H12 | 90.0° | 114.0° |
| RU1 | O5 | H13 | 90.0° | 114.1° |
| H12 | O5 | H13 | 90.0° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | RU1 | C1 | 10.7° | 45.0° |
| O2 | C2 | RU1 | CL1 | 81.0° | 180.0° |
| O2 | C2 | RU1 | C3 | 101.8° | 45.0° |
| O2 | C2 | RU1 | O4 | 170.4° | 135.0° |
| O2 | C2 | RU1 | O5 | 149.1° | 135.0° |
| O1 | C1 | RU1 | C2 | 113.1° | 56.3° |
| O1 | C1 | RU1 | CL1 | 173.2° | 123.7° |
| O1 | C1 | RU1 | C3 | 14.0° | 146.3° |
| O1 | C1 | RU1 | O4 | 35.3° | 33.7° |
| O1 | C1 | RU1 | O5 | 155.3° | 122.7° |
| 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° | 179.0° |
| C2 | RU1 | CL1 | C3 | 21.7° | 135.0° |
| C2 | RU1 | CL1 | O4 | 101.1° | 45.0° |
| C2 | RU1 | CL1 | O5 | 83.1° | 45.0° |
| C2 | RU1 | C3 | O4 | 101.0° | 179.0° |
| C2 | RU1 | C3 | O5 | 79.8° | 90.0° |
| C2 | RU1 | O4 | O5 | 41.8° | 90.0° |
| C2 | RU1 | C3 | O3 | 98.8° | 56.3° |
| C2 | RU1 | O4 | H10 | 180.0° | 178.3° |
| C2 | RU1 | O4 | H11 | 60.0° | 44.9° |
| C2 | RU1 | O5 | H12 | 90.0° | 44.9° |
| C2 | RU1 | O5 | H13 | 90.0° | 178.3° |
| 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° | 91.0° |
| C1 | RU1 | C3 | O5 | 160.4° | 180.0° |
| C1 | RU1 | O4 | O5 | 170.0° | 180.0° |
| C1 | RU1 | C3 | O3 | 18.1° | 146.3° |
| C1 | RU1 | O4 | H10 | 31.7° | 91.7° |
| C1 | RU1 | O4 | H11 | 88.3° | 135.0° |
| C1 | RU1 | O5 | H12 | 90.0° | 134.0° |
| C1 | RU1 | O5 | H13 | 90.0° | 0.7° |
| CL1 | RU1 | C3 | O4 | 79.9° | 1.0° |
| CL1 | RU1 | C3 | O5 | 58.7° | 90.0° |
| CL1 | RU1 | O4 | O5 | 32.1° | 90.0° |
| CL1 | RU1 | C3 | O3 | 119.9° | 123.7° |
| CL1 | RU1 | O4 | H10 | 106.1° | 1.7° |
| CL1 | RU1 | O4 | H11 | 133.9° | 135.0° |
| CL1 | RU1 | O5 | H12 | 90.0° | 135.0° |
| CL1 | RU1 | O5 | H13 | 90.0° | 1.7° |
| C3 | RU1 | O4 | O5 | 140.6° | 89.0° |
| C3 | RU1 | O4 | H10 | 81.2° | 0.7° |
| C3 | RU1 | O4 | H11 | 38.8° | 134.0° |
| C3 | RU1 | O5 | H12 | 90.0° | 135.0° |
| C3 | RU1 | O5 | H13 | 90.0° | 91.7° |
| O4 | RU1 | C3 | O3 | 160.3° | 122.7° |
| RU1 | O4 | H10 | H11 | 120.0° | 133.4° |
| O4 | RU1 | O5 | H12 | 90.0° | 45.1° |
| O4 | RU1 | O5 | H13 | 90.0° | 88.3° |
| O3 | C3 | RU1 | O5 | 178.6° | 33.7° |
| H10 | O4 | RU1 | O5 | 138.2° | 88.3° |
| H11 | O4 | RU1 | O5 | 101.8° | 45.1° |
| RU1 | O5 | H12 | H13 | 90.0° | 133.4° |
