CUK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CU2 | S1 | sing | 1.90Å | 2.19Å | |
| S1 | CU1 | sing | 1.91Å | 2.35Å | |
| S1 | CU3 | sing | 1.90Å | 2.22Å | |
| S1 | CU4 | sing | 1.90Å | 2.47Å | |
| CU1 | S2 | sing | 1.90Å | 2.47Å | |
| S2 | CU4 | sing | 1.90Å | 2.62Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CU2 | S1 | CU1 | 77.0° | 90.0° |
| CU2 | S1 | CU3 | 76.7° | 90.0° |
| CU2 | S1 | CU4 | 165.5° | 173.3° |
| CU1 | S1 | CU3 | 81.5° | 120.0° |
| CU1 | S1 | CU4 | 89.5° | 84.1° |
| S1 | CU1 | S2 | 95.2° | 88.6° |
| CU3 | S1 | CU4 | 96.6° | 90.0° |
| S1 | CU4 | S2 | 88.9° | 88.6° |
| CU1 | S2 | CU4 | 83.4° | 84.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CU2 | S1 | CU1 | CU3 | 78.2° | 90.0° |
| CU2 | S1 | CU1 | CU4 | 174.9° | 176.6° |
| CU2 | S1 | CU3 | CU4 | 167.0° | 173.3° |
| CU2 | S1 | CU1 | S2 | 171.1° | 148.3° |
| CU2 | S1 | CU4 | S2 | 33.2° | 1.6° |
| CU1 | S1 | CU3 | CU4 | 88.5° | 83.2° |
| CU1 | S1 | CU4 | S2 | 13.1° | 28.3° |
| CU3 | S1 | CU1 | S2 | 110.7° | 58.3° |
| CU3 | S1 | CU4 | S2 | 94.5° | 91.9° |
