Table 1 Crystallographic data and refinement details for Cu-CIP
| Compound | Cu-CIP |
|---|---|
| Formula | C17H32CuFN3O12S |
| Mr/(g/mol) | 609.08 |
| Crystal shape, color | Cubic, green |
| Crystal size/mm3 | 0.30 × 0.24 × 0.13 |
| λ/Å | 0.71073 (Mo Kα) |
| Crystal system | Monoclinic |
| Space group | P21/c |
| a/Å | 15.9488 (12) |
| b/Å | 11.0141(9) |
| c/Å | 14.6494 (12) |
| β/° | 106.958 (9) |
| V/Å3 | 2461.4 (4) |
| Z | 4 |
| Dcalc/(g/cm3) | 1.644 |
| μ/mm−1 | 1.05 |
| F(000) | 1268 |
| θ range/° | 2.3–28.6 |
| h,k,l | − 20 → 20 − 14 → 14 − 19 → 18 |
| Measured reflections | 16,651 |
| Independent reflections | 5682 |
| Reflections with I > 2σ(I) | 4365 |
| Rint | 0.038 |
| R[F2> 2σ(F2)] | 0.041 |
| wR(F2) | 0.126 |
| S | 1.06 |
| Abs. correction | Analytical |
| Parameters | 334 |
| Restraints | 0 |
| Δρmax/Δρmin | 0.74 −0.65 |