Table 3.
Single Crystal Data Parameters for 1 - 3.
| Compound | 1 | 2 | 3 |
|---|---|---|---|
| chemical formula | C17H24N2O2SZn2 | C55H63N7O2S2Zn4 | C12H14N2O1S1Zn1 |
| formula weight | 451.18 | 1179.72 | 299.68 |
| Temperature (K) | 203 | 203 | 203 |
| space group | Orthorhombic Pbca |
Monoclinic C2/c |
Triclinic P1 |
| a (Å) | 13.778(2) | 15.3387(11) | 7.5512(7) |
| b (Å) | 14.427(2) | 9.6531(7) | 8.1605(7) |
| c (Å) | 19.658(3) | 39.213(3) | 12.0073(11) |
| α (deg) | 77.0120(10) | ||
| β (deg) | 99.8690(10) | 73.7450(10) | |
| γ (deg) | 67.1230(10) | ||
| V (Å3) | 3907.8(11) | 5720.1(7) | 648.81(10) |
| Z | 8 | 4 | 2 |
| Dcalcd(mg/m3) | 1.534 | 1.370 | 1.534 |
| μ,(Mo, Kα) (mm−1) | 2.573 | 1.775 | 2.038 |
| R1a (%) (all data) | 8.26 (12.31) | 4.92 (6.05) | 2.52 (2.56) |
| wR2b (%) (all data) | 16.31 (18.58) | 12.01 (13.01) | 6.22 (6.26) |
a
R1 = Σ ∣ ∣Fo∣ - ∣Fc∣ ∣ / Σ ∣Fo∣ × 100
b
wR2 = [Σ w (Fo2 - Fc2)2 / Σ (w∣Fo∣2)2]1/2 × 100