CUK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CU2 | S1 | sing | 2.22Å | 2.19Å | |
| S1 | CU1 | sing | 2.24Å | 2.35Å | |
| S1 | CU3 | sing | 2.22Å | 2.22Å | |
| S1 | CU4 | sing | 2.42Å | 2.47Å | |
| CU1 | S2 | sing | 2.24Å | 2.47Å | |
| S2 | CU4 | sing | 2.42Å | 2.62Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CU2 | S1 | CU1 | 77.0° | 83.2° |
| CU2 | S1 | CU3 | 76.7° | 80.7° |
| CU2 | S1 | CU4 | 165.5° | 150.9° |
| CU1 | S1 | CU3 | 81.5° | 80.8° |
| CU1 | S1 | CU4 | 89.5° | 68.3° |
| S1 | CU1 | S2 | 95.2° | 118.2° |
| CU3 | S1 | CU4 | 96.6° | 99.9° |
| S1 | CU4 | S2 | 88.9° | 105.1° |
| CU1 | S2 | CU4 | 83.4° | 68.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CU2 | S1 | CU1 | CU3 | 78.2° | 81.6° |
| CU2 | S1 | CU1 | CU4 | 174.9° | 173.8° |
| CU2 | S1 | CU3 | CU4 | 167.0° | 150.5° |
| CU2 | S1 | CU1 | S2 | 171.1° | 173.8° |
| CU2 | S1 | CU4 | S2 | 33.2° | 12.6° |
| CU1 | S1 | CU3 | CU4 | 88.5° | 66.0° |
| CU1 | S1 | CU4 | S2 | 13.1° | 0.0° |
| CU3 | S1 | CU1 | S2 | 110.7° | 104.5° |
| CU3 | S1 | CU4 | S2 | 94.5° | 75.9° |
