ZXK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | trip | 1.22Å | 1.14Å | |
| C1 | RU | sing | 1.83Å | 1.88Å | |
| RU | C2 | sing | 1.97Å | 1.88Å | |
| RU | CL1 | sing | 2.34Å | 2.26Å | |
| RU | CL | sing | 2.34Å | 2.49Å | |
| C2 | O2 | trip | 1.22Å | 1.14Å | |
| RU | O3 | sing | 2.28Å | 2.00Å | |
| O3 | H1 | sing | 0.86Å | 13.45Å | |
| O3 | H2 | sing | 0.86Å | 13.45Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | RU | 176.5° | 180.0° |
| C1 | RU | C2 | 87.4° | 101.5° |
| C1 | RU | CL1 | 90.4° | 100.0° |
| C1 | RU | CL | 85.3° | 100.0° |
| C1 | RU | O3 | 93.1° | 81.9° |
| C2 | RU | CL1 | 96.1° | 92.5° |
| C2 | RU | CL | 82.0° | 92.6° |
| RU | C2 | O2 | 176.4° | 179.9° |
| C2 | RU | O3 | 175.1° | 176.6° |
| CL1 | RU | CL | 175.4° | 158.0° |
| CL1 | RU | O3 | 88.9° | 86.8° |
| CL | RU | O3 | 93.2° | 86.8° |
| RU | O3 | H1 | 106.6° | 112.6° |
| RU | O3 | H2 | 106.6° | 109.4° |
| H1 | O3 | H2 | NaN° | 107.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | RU | C2 | 96.6° | 91.2° |
| O1 | C1 | RU | CL1 | 167.4° | 174.2° |
| O1 | C1 | RU | CL | 14.4° | 3.5° |
| O1 | C1 | RU | O3 | 78.5° | 88.9° |
| C1 | RU | C2 | CL1 | 90.2° | 100.7° |
| C1 | RU | C2 | CL | 85.6° | 100.7° |
| C1 | RU | C2 | O3 | 95.6° | 179.6° |
| C1 | RU | CL1 | CL | 23.0° | 154.7° |
| C1 | RU | CL1 | O3 | 93.1° | 81.2° |
| C1 | RU | CL | O3 | 92.8° | 81.2° |
| C1 | RU | C2 | O2 | 96.0° | 64.4° |
| C1 | RU | O3 | H1 | 30.1° | 3.6° |
| C1 | RU | O3 | H2 | 30.1° | 122.9° |
| C2 | RU | CL1 | CL | 64.4° | 103.2° |
| C2 | RU | CL1 | O3 | 179.5° | 176.7° |
| C2 | RU | CL | O3 | 179.1° | 176.7° |
| C2 | RU | O3 | H1 | 125.4° | 176.0° |
| C2 | RU | O3 | H2 | 125.4° | 56.7° |
| CL1 | RU | CL | O3 | 115.9° | 73.5° |
| CL1 | RU | C2 | O2 | 5.8° | 165.1° |
| CL1 | RU | O3 | H1 | 60.3° | 96.9° |
| CL1 | RU | O3 | H2 | 60.3° | 22.4° |
| CL | RU | C2 | O2 | 178.4° | 36.3° |
| CL | RU | O3 | H1 | 115.5° | 104.2° |
| CL | RU | O3 | H2 | 115.5° | 136.5° |
| O2 | C2 | RU | O3 | 168.4° | 116.0° |
| RU | O3 | H1 | H2 | 90.0° | 120.5° |
