Table 2.
Crystallographic data and details of the refinement procedure for compounds 1 and 2.
| Compound | (1) | (2) |
|---|---|---|
| Formula | C33H36Cl3N3O18S6Tb2 | C33H36Cl3Eu2N3O18S6 |
| Few | 1379.20 | 1365.28 |
| Crystal color | Red | Red |
| Sample size (mm3) | 0.02 × 0.04 × 0.07 | 0.02 × 8.0 × 10.0 |
| Temperature (K) | 150 (2) | 298 (2) |
| Wavelength (Å) | 1.54184 | 1.54184 |
| Crystal system, Z | Monoclinic, 2 | Triclinic, 1 |
| Space group | P21/n | P-1 |
| a (Å) | 9.6868 (2) | 9.704 (1) |
| b (Å) | 16.3511 (3) | 9.710 (1) |
| c (Å) | 15.1558 (3) | 14.146 (1) |
| α (°) | 90 | 84.003 (6) |
| β (°) | 93.683 (2) | 97.145 (6) |
| γ (°) | 90 | 78.526 (5) |
| V (Å3) | 2395.57 (8) | 1284.6 (4) |
| ρcalc (g.cm−3) | 1.912 | 1.764 |
| μ(CuKα) (mm−1) | 18.94 | 19.92 |
| θ range (°) | 3.981–73.587 | 2.5–52.5 |
| Data collected | 19515 | 5001 |
| Data unique | 4767 | - |
| Data observed | 4408 | - |
| Number of parameters/restraints | 388/65 | 58/9 |
| R(int) | 0.0486 | - |
| R1(F), a I > 2σ(I) | 0.0490 | (Rp) 0.0491 |
| wR2(F2), b all data | 0.1253 | (Rwp) 0.0755 |
| S(F2), c all data | 1.106 | 6.13 |
a R1(F) = ΣǁFo| − |Fcǁ/Σ|Fo|; b wR2(F2) = [Σw(Fo2 − Fc2)2/ΣwFo4]1/2; c S(F2) = [Σw(Fo2 − Fc2)2/(n + r − p)]1/2.