5LN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | RU1 | sing | 1.99Å | 1.92Å | |
| C2 | OC2 | sing | 1.43Å | 1.05Å | |
| C1 | RU1 | sing | 1.99Å | 1.87Å | |
| C1 | OC1 | sing | 1.43Å | 1.07Å | |
| O1 | RU1 | sing | 1.84Å | 2.29Å | |
| O2 | RU1 | sing | 1.84Å | 2.25Å | |
| RU1 | CL1 | sing | 2.20Å | 2.44Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| O1 | H5 | sing | 0.97Å | 0.95Å | |
| O2 | H6 | sing | 0.97Å | 0.95Å | |
| OC1 | H7 | sing | 0.97Å | 0.95Å | |
| OC2 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| RU1 | C2 | OC2 | 174.7° | 109.5° |
| C2 | RU1 | C1 | 84.6° | 120.0° |
| C2 | RU1 | O1 | 85.0° | 90.0° |
| C2 | RU1 | O2 | 96.5° | 90.0° |
| C2 | RU1 | CL1 | 177.8° | 120.0° |
| RU1 | C2 | H1 | 91.6° | 109.5° |
| RU1 | C2 | H2 | 91.5° | 109.5° |
| OC2 | C2 | H1 | 91.5° | 109.5° |
| OC2 | C2 | H2 | 91.5° | 109.5° |
| C2 | OC2 | H8 | 109.5° | 114.0° |
| RU1 | C1 | OC1 | 178.9° | 109.5° |
| C1 | RU1 | O1 | 90.1° | 90.0° |
| C1 | RU1 | O2 | 90.3° | 90.0° |
| C1 | RU1 | CL1 | 93.6° | 120.0° |
| RU1 | C1 | H3 | 90.3° | 109.5° |
| RU1 | C1 | H4 | 90.3° | 109.5° |
| OC1 | C1 | H3 | 90.3° | 109.5° |
| OC1 | C1 | H4 | 90.3° | 109.5° |
| C1 | OC1 | H7 | 109.5° | 114.0° |
| O1 | RU1 | O2 | 178.4° | 180.0° |
| O1 | RU1 | CL1 | 93.7° | 90.0° |
| RU1 | O1 | H5 | 109.5° | 114.0° |
| O2 | RU1 | CL1 | 84.8° | 90.0° |
| RU1 | O2 | H6 | 109.5° | 114.0° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| RU1 | C2 | OC2 | H1 | 125.2° | 120.0° |
| RU1 | C2 | OC2 | H2 | 125.2° | 120.0° |
| C2 | RU1 | C1 | O1 | 85.0° | 90.0° |
| C2 | RU1 | C1 | O2 | 96.5° | 90.0° |
| C2 | RU1 | C1 | CL1 | 178.7° | 180.0° |
| C2 | RU1 | C1 | OC1 | 120.0° | 180.0° |
| C2 | RU1 | O1 | O2 | 170.7° | 90.0° |
| C2 | RU1 | O1 | CL1 | 178.2° | 120.0° |
| C2 | RU1 | O2 | CL1 | 178.2° | 120.0° |
| RU1 | C2 | H1 | H2 | 92.2° | 120.0° |
| C2 | RU1 | C1 | H3 | 5.3° | 60.0° |
| C2 | RU1 | C1 | H4 | 114.7° | 60.0° |
| C2 | RU1 | O1 | H5 | 180.0° | 180.0° |
| C2 | RU1 | O2 | H6 | 180.0° | 180.0° |
| RU1 | C2 | OC2 | H8 | 180.0° | 180.0° |
| OC2 | C2 | RU1 | C1 | 55.6° | 180.0° |
| OC2 | C2 | RU1 | O1 | 34.9° | 90.0° |
| OC2 | C2 | RU1 | O2 | 145.3° | 90.0° |
| OC2 | C2 | RU1 | CL1 | 20.6° | 0.0° |
| OC2 | C2 | H1 | H2 | 92.2° | 120.0° |
| RU1 | C1 | OC1 | H3 | 125.3° | 120.0° |
| RU1 | C1 | OC1 | H4 | 125.3° | 120.0° |
| C1 | RU1 | O1 | O2 | 104.8° | 90.0° |
| C1 | RU1 | O1 | CL1 | 93.6° | 120.0° |
| C1 | RU1 | O2 | CL1 | 93.6° | 120.0° |
| C1 | RU1 | C2 | H1 | 179.1° | 60.0° |
| C1 | RU1 | C2 | H2 | 69.6° | 60.0° |
| RU1 | C1 | H3 | H4 | 90.5° | 120.0° |
| C1 | RU1 | O1 | H5 | 95.5° | 60.0° |
| C1 | RU1 | O2 | H6 | 95.5° | 60.0° |
| RU1 | C1 | OC1 | H7 | 180.0° | 180.0° |
| OC1 | C1 | RU1 | O1 | 35.0° | 90.0° |
| OC1 | C1 | RU1 | O2 | 143.5° | 90.0° |
| OC1 | C1 | RU1 | CL1 | 58.7° | 0.0° |
| OC1 | C1 | H3 | H4 | 90.5° | 120.0° |
| O1 | RU1 | O2 | CL1 | 11.2° | 90.0° |
| O1 | RU1 | C2 | H1 | 90.3° | 30.0° |
| O1 | RU1 | C2 | H2 | 160.2° | 150.0° |
| O1 | RU1 | C1 | H3 | 90.3° | 150.0° |
| O1 | RU1 | C1 | H4 | 160.3° | 30.0° |
| O1 | RU1 | O2 | H6 | 9.3° | 90.0° |
| O2 | RU1 | C2 | H1 | 89.5° | 150.0° |
| O2 | RU1 | C2 | H2 | 20.1° | 30.0° |
| O2 | RU1 | C1 | H3 | 91.2° | 30.0° |
| O2 | RU1 | C1 | H4 | 18.2° | 150.0° |
| O2 | RU1 | O1 | H5 | 9.3° | 90.0° |
| CL1 | RU1 | C2 | H1 | 145.8° | 120.0° |
| CL1 | RU1 | C2 | H2 | 104.6° | 120.0° |
| CL1 | RU1 | C1 | H3 | 176.0° | 120.0° |
| CL1 | RU1 | C1 | H4 | 66.5° | 120.0° |
| CL1 | RU1 | O1 | H5 | 1.9° | 60.0° |
| CL1 | RU1 | O2 | H6 | 1.8° | 60.0° |
| H1 | C2 | OC2 | H8 | 54.8° | 60.0° |
| H2 | C2 | OC2 | H8 | 54.8° | 60.0° |
| H3 | C1 | OC1 | H7 | 54.7° | 60.0° |
| H4 | C1 | OC1 | H7 | 54.7° | 60.0° |
