Table 1 Crystal data and refinement parameters
Complex 1 | Complex 2 | |
|---|---|---|
Empirical formula | C76 H48 Cl4 N8 O12 Pb4 S4 | C80 H48 Cl4 N8 O12 Pb4 S4 |
Formula weight | 2364.11 | 2412.15 |
Temp, K | 296 | 296 |
λ (Å) | 0.71073 | 0.71073 |
Crystal system | Triclinic | Triclinic |
Space group | P-1 | P-1 |
a (Å) | 11.6469(4) | 11.5185(2) |
b (Å) | 12.2824(4) | 12.2250(2) |
c (Å) | 14.1122(4) | 14.7743(2) |
α(°) | 82.427(2) | 81.913(1) |
β (°) | 72.489(2) | 72.349(1) |
γ (°) | 84.915(2) | 84.455(1) |
V (Å3) | 1905.87(11) | 1959.55(5) |
Z | 1 | 1 |
ρ calcd (g/cm3) | 2.060 | 2.044 |
μ (mm-1) | 9.124 | 8.876 |
F (000) | 1116 | 1140 |
Crystal size (mm) | 0.09 × 0.11 × 0.12 | 0.08 × 0.09 × 0.09 |
No of reflections collected | 12353 | 31600 |
Number restraints | 0 | 0 |
Goodness-of-fit on F2 | 1.01 | 1.18 |
Final R1 index [I > 2σ(I)] | 0.0381 | 0.0232 |
wR2 (all data) | 0.1054 | 0.0618 |
Largest difference in peak and hole (e Å-3) | −1.64, 2.92 | −0.65, 2.61 |
CCDC number | 954993 | 954992 |