Table 2.
Crystal data and refinement parameters for zinc complexes B, C, and D.
| Compound | Complex B | Complex C | Complex D |
|---|---|---|---|
| Chemical formula | C42H39Cl2F3N6O8Zn | C47H51Cl2N7O8Zn | C51H57Cl2N9O11Zn |
| Molar mass (g mol−1) | 949.06 | 978.24 | 1108.35 |
| T (K) | 293(2) | 293(2) | 293(2) |
| Crystal system | Monoclinic | Cubic | Cubic |
| Space group | C2 | P213 | P213 |
| a (Å) | 19.2189(9) | 16.9023(3) | 17.5430(3) |
| b (Å) | 12.9740(5) | 16.9023(3) | 17.5430(3) |
| c (Å) | 18.6227(11) | 16.9023(3) | 17.5430(3) |
| α (°) | 90 | 90 | 90 |
| β (°) | 106.389(6) | 90 | 90 |
| γ (°) | 90 | 90 | 90 |
| V (Å3) | 4454.8(4) | 4828.8(3) | 5399.0(3) |
| Z | 4 | 4 | 4 |
| pcalc (g cm−3) | 1.415 | 1.346 | 1.364 |
| μ (mm−1) | 0.741 | 0.678 | 0.620 |
| F(000) | 1952.0 | 2040.0 | 2312.0 |
| Crystal size (mm3) | 0.297 × 0.283 × 0.164 | 0.485 × 0.287 × 0.231 | 0.64 × 0.504 × 0.381 |
| Radiation (λ/Å) | MoKα (λ = 0.71073) | MoKα (λ = 0.71073) | MoKα (λ = 0.71073) |
| 2Θ range (°) | 6.28–55.746 | 5.904–54.17 | 6.57–52.694 |
| Reflections collected | 30,747 | 17,438 | 18,653 |
| R int | 0.0338 | 0.0308 | 0.0351 |
| GOF on F2 | 1.027 | 1.049 | 1.070 |
| R1, wR2 (I ≥ 2σ (I)) | 0.0463, 0.1183 | 0.0367, 0.0952 | 0.0461, 0.1205 |
| R1, wR2 (all data) | 0.0609, 0.1294 | 0.0491, 0.1026 | 0.0681, 0.1351 |